SCHEMBL5608673

SCHEMBL5608673

CC(=O)c1ccc(Oc2ccccc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
MAPT P10636 2/20 0.62
RAB9A P51151 1/20 0.62
MAOB P27338 2/20 0.55
LPAR1 Q92633 6/20 0.55
LPAR5 Q9H1C0 6/20 0.55
MAPK14 Q16539 1/20 0.53
EZH2 Q15910 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL8746017 0.86 LPAR1 (0.70) HPGDLPAR1LPAR5MAPK14EZH2
SCHEMBL11603272 0.84 LPAR1 (0.68) HPGDLPAR1LPAR5MAPK14EZH2
SCHEMBL11604084 0.84 LPAR1 (0.53) HPGDLPAR1LPAR5MAPK14EZH2
SCHEMBL11602631 0.84 PARP10 (0.66) HPGDMAPTLPAR1LPAR5MAPK14
SCHEMBL9861909 0.84 MAPT (0.64) HPGDMAPTRAB9AMAOBALDH1A1
SCHEMBL11602845 0.83 CA2 (0.53) HPGDLPAR1LPAR5MAPK14EZH2
Potassium Ion SCHEMBL11603948 0.83 LPAR1 (0.52) HPGDLPAR1LPAR5MAPK14EZH2
SCHEMBL1191950 0.83 TDP1 (0.68) MAPTRAB9ALPAR1LPAR5MAPK14
SCHEMBL5317270 0.83 CA12 (0.63) HPGDMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL7690257 0.82 ALDH1A1 (0.59) HPGDRAB9ALPAR1LPAR5MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5286894-A Phenyl acrylic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
CN-87108295-A New alkane sulfonyl aniline derivative and its medicinal compositions and preparation method 1988-07-13 CN disclosed
US-4098816-A HYPOGLYCEMIC AGENTS AND ANTILIPEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1978-07-04 US disclosed