SCHEMBL7238513

SCHEMBL7238513

COC(=O)CCCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TACR1 P25103 5/20 0.54
ALOX5 P09917 1/20 0.47
CXCR2 P25025 1/20 0.47

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
SCHEMBL7241810 0.93 CXCR2 (0.56) TSPOTACR1CXCR2
SCHEMBL7238595 0.93 CXCR2 (0.53) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6805872 0.92 TSPO (0.47) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7241409 0.91 TSPO (0.47) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7232861 0.91 TSPO (0.47) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7236310 0.91 TACR1 (0.49) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7232319 0.91 CXCR2 (0.55) TSPOTACR1CXCR2
SCHEMBL7242413 0.90 TSPO (0.46) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7232831 0.89 TACR1 (0.45) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7232669 0.89 TACR1 (0.45) TSPOKDM4EALDH1A1CYP1A2CYP3A4

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
US-6605633-B1 Such as 5-Bromo-2-phenyl-1H-indole-3-butanoic acid FOURNIER INDUSTRIE ET SANTE (FR) 2003-08-12 US disclosed