SCHEMBL7843262

SCHEMBL7843262

COc1ccc(COC(=O)c2c[nH]c3c(C4CC4)c(F)c(F)cc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CLEC4M Q9H2X3 1/20 0.37
GUSB P08236 1/20 0.37

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
SCHEMBL9487698 0.83 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL5794312 0.75 KDM4E (0.44) RXFP1CYP1A2KDM4E
SCHEMBL7002652 0.74 KDM4E (0.37) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL1498578 0.74 PLAT (0.41) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL10866870 0.74 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL7517643 0.73 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL10867176 0.73 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL4649996 0.72 GABRA1 (0.56) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL10519192 0.72 CLEC4M (0.53) CYP1A2CYP3A4CYP2C19GABRA1GABRB2
SCHEMBL8561725 0.71 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083920-A1 NOVEL ANTIBACTERIAL COMPOUNDS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999064051-A1 NOVEL ANTIBACTERIAL COMPOUNDS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed