SCHEMBL7969211

SCHEMBL7969211

Cc1ccc(CC(Nc2cccc(C(=O)O)c2O)c2cnc[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.42
CXCR2 P25025 2/20 0.39
CPB2 Q96IY4 5/20 0.39
FTO Q9C0B1 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CPB1 P15086 1/20 0.36
CYP19A1 P11511 1/20 0.36
BRS3 P32247 1/20 0.36
PPARG P37231 1/20 0.35
CASR P41180 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34

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
SCHEMBL7958183 0.91 CPA1 (0.46) CPA1CXCR2CPB2FTOKDM4E
SCHEMBL7973949 0.90 FTO (0.42) CPA1CXCR2CPB2FTOKDM4E
SCHEMBL7971636 0.67 CPA1 (0.38) CPA1CPB2SMN1; SMN2CPB1CYP19A1
SCHEMBL7969216 0.67 BRS3 (0.37) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7970889 0.67 TAAR1 (0.47)
SCHEMBL7971730 0.66 CPA1 (0.37) CPA1CPB2ALDH1A1CPB1CYP19A1
SCHEMBL7974145 0.66 CPA1 (0.36) CPA1CPB2CPB1CYP19A1BRS3
SCHEMBL9151220 0.64 NPC1 (0.56) KDM4EALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL9450042 0.62 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2
SCHEMBL30127637 0.61 NPC1 (0.56) KDM4EALDH1A1LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed