SCHEMBL14335694

SCHEMBL14335694

COc1ccc(C)c2[nH]c(=O)c(C(=O)O)c(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
NQO2 P16083 1/20 0.42
APLNR P35414 3/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL14335867 0.88 USP2 (0.44) CYP19A1NQO2APLNRCA2CA12
SCHEMBL1983234 0.80 MEN1 (0.43) KDM4ERNASEH1ALDH1A1HSD17B10MEN1
SCHEMBL3979257 0.76 CA12 (0.51) APLNRCA2CA12CA1CA7
SCHEMBL7826753 0.75 KDM4E (0.38) APLNRKDM4EHPGDMAPTTDP1
SCHEMBL16098758 0.71 USP2 (0.44) CA2CA12CA1CA7CA9
SCHEMBL6674677 0.71 NQO2 (0.54) CYP19A1NQO2KDM4EHPGDMAPT
SCHEMBL5809605 0.71 RPA1 (0.49) KDM4EHPGDMAPTTDP1GAA
SCHEMBL9064266 0.69 CA12 (0.63) CA2CA12CA1CA7CA9
SCHEMBL2483507 0.69 KDM4E (0.50) KDM4EHPGDTDP1ALDH1A1HSD17B10
SCHEMBL1033282 0.69 GRIN2D (0.43) KDM4EMAPTTDP1GRIN2DGRIN3B

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-2723340-A1 DEUTERIUM-ENRICHED 4-HYDROXY-5-METHOXY-N,1-DIMETHYL-2-OXO-N-[(4-TRIFLUORO-METHYL)PHENYL]-1,2-DIHYDROQUINOLINE-3-CARBOXAMIDE Active Biotech AB (SE) 2014-04-30 EP claimed
WO-2012175541-A1 DEUTERIUM-ENRICHED 4-HYDROXY-5-METHOXY-N,1-DIMETHYL-2-OXO-N-[(4-TRIFLUORO-METHYL)PHENYL]-1,2-DIHYDROQUINOLINE-3-CARBOXAMIDE ACTIVE BIOTECH AB (SE) 2012-12-27 WO claimed
EP-2723340-A1 DEUTERIUM-ENRICHED 4-HYDROXY-5-METHOXY-N,1-DIMETHYL-2-OXO-N-[(4-TRIFLUORO-METHYL)PHENYL]-1,2-DIHYDROQUINOLINE-3-CARBOXAMIDE Active Biotech AB (SE) 2014-04-30 EP disclosed
WO-2012175541-A1 DEUTERIUM-ENRICHED 4-HYDROXY-5-METHOXY-N,1-DIMETHYL-2-OXO-N-[(4-TRIFLUORO-METHYL)PHENYL]-1,2-DIHYDROQUINOLINE-3-CARBOXAMIDE ACTIVE BIOTECH AB (SE) 2012-12-27 WO disclosed