Phenol

Phenol

SCHEMBL967203

O=C([O-])c1ccccc1OS(=O)(=O)[O-].O=C([O-])c1ccccc1OS(=O)(=O)[O-].[Ca+2].[Ca+2].[Ca+2].[O-]c1ccccc1.[O-]c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Phenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.33
PTGS2 known ✓ P35354 1/20 0.33
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 5/20 0.37
CTNNB1 P35222 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 4/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.33
GGT1 P19440 1/20 0.33
BLM P54132 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL291627 0.89 KDM4E (0.47) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL20166759 0.78 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL3169148 0.78 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL29277820 0.76 KDM4E (0.48) MAPTL3MBTL1ALDH1A1KDM4EHPGD
Potassium Ion SCHEMBL9114094 0.75 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
Lithium Ion SCHEMBL10680313 0.75 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7065753 0.75 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL10981093 0.75 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7085287 0.75 KDM4E (0.42) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL291629 0.75 KDM4E (0.47) MAPTL3MBTL1ALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340804-B1 Lubricating oil compositions INFINEUM INT LTD (GB) 2016-11-16 EP disclosed
EP-1266955-B1 Lubricating oil compositions INFINEUM INT LTD (GB) 2013-11-06 EP disclosed
EP-1512737-B1 Lubricating oil composition for marine engines INFINEUM INT LTD (GB) 2011-04-20 EP disclosed
US-7867955-B2 Lubricating oil composition INFINEUM INTERNATIONAL LIMITED (GB) 2011-01-11 US disclosed
US-7838470-B2 Lubricating oil composition INFINEUM INTERNATIONAL LIMITED (GB) 2010-11-23 US disclosed
US-20060172896-A1 Lubricating oil composition INFINEUM INTERNATIONAL LIMITED (GB) 2006-08-03 US disclosed
US-20050153848-A1 Lubricating oil composition BELL IAN A W (GB) 2005-07-14 US disclosed
EP-1533362-A1 Lubricating oil composition Infineum International Limited (GB) 2005-05-25 EP disclosed
US-20050070444-A1 crankcase lubricating oil; enhanced performance ; diesel engine piston cleanliness INFINEUM INTERNATIONAL LIMITED (GB) 2005-03-31 US disclosed
EP-1518920-A1 Lubricating oil composition Infineum International Limited (GB) 2005-03-30 EP disclosed
US-20030162674-A1 Lubricating oil compositions INFINEUM INTERNATIONAL LIMITED (GB) 2003-08-28 US disclosed
US-20030134758-A1 Compounds capable of reducing friction coefficients under mixed lubrication or boundary lubrication conditions in a heavy duty diesel engine lubricating oil composition for improving the fuel economy of a heavy duty diesel engine. BOVINGTON CHARLES H (GB) 2003-07-17 US disclosed
EP-1323816-A1 Heavy duty diesel engine lubricating oil compositions Infineum International Limited (GB) 2003-07-02 EP disclosed
EP-1321507-A1 Heavy duty diesel engine lubricating oil compositions Infineum International Limited (GB) 2003-06-25 EP disclosed
US-20030096716-A1 Lubricating oil composition INTFINEUM INTERNATIONAL LIMITED (GB) 2003-05-22 US disclosed
EP-1266955-A1 Lubricating oil compositions Infineum International Limited (GB) 2002-12-18 EP disclosed
EP-1262538-A2 Anti-wear and anti-oxidant additives for lubricating oil compositions Infineum International Limited (GB) 2002-12-04 EP disclosed
US-20020155958-A1 Lubrication INFINEUM INTERNATIONAL LIMITED (GB) 2002-10-24 US disclosed
EP-1229101-A1 Marine diesel engine lubricant Infineum International Limited (GB) 2002-08-07 EP disclosed
EP-1229102-A1 Lubricating oil composition Infineum International LTD (GB) 2002-08-07 EP disclosed