SCHEMBL6906196

SCHEMBL6906196

CCCCNCCCC.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
ALDH1A1 P00352 7/20 0.55
LMNA P02545 3/20 0.55
CYP2C9 P11712 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALB P02768 1/20 0.55
TSHR P16473 1/20 0.55
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
CHRM2 P08172 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL6911314 0.95 ALDH1A1 (0.55) ALDH1A1LMNACYP2C9TDP1ALB
SCHEMBL8986422 0.95 ALDH1A1 (0.55) ALDH1A1LMNACYP2C9TDP1ALB
SCHEMBL6667980 0.89 CA2 (0.50) ALDH1A1LMNACYP2C9TDP1ALB
Pentane SCHEMBL28482247 0.87 ALDH1A1 (0.50) ALDH1A1LMNACYP2C9TDP1ALB
Hexane SCHEMBL7122950 0.87 MCHR1 (0.53) ALDH1A1LMNACYP2C9TDP1ALB
SCHEMBL30395774 0.85 CA2 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Heptane SCHEMBL8501523 0.85 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Dodecane SCHEMBL7126605 0.85 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Decane SCHEMBL17004268 0.85 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB
Octane SCHEMBL8462698 0.85 MCHR1 (0.56) ALDH1A1LMNACYP2C9TDP1ALB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736574-B1 Thermoplastic resin composition comprising carbonate and acrylic resin GEN ELECTRIC (US) 2004-06-02 EP disclosed
US-6103827-A A TRANSPARENT THERMOPLASTIC RESIN BLENDS GENERAL ELECTRIC COMPANY (US) 2000-08-15 US disclosed
US-5883194-A RADIATION TRANSPARENT THERMOPLASTIC RESINS OF CARBONATE AND ESTER BLENDS WITH ACRYLATE RESINS AND CATALYSTS GENERAL ELECTRIC COMPANY (US) 1999-03-16 US disclosed
EP-0736574-A2 Thermoplastic resin composition comprising carbonate and acrylic resin GENERAL ELECTRIC COMPANY (US) 1996-10-09 EP disclosed