SCHEMBL4740673

SCHEMBL4740673

COC(Cc1ccccc1)c1cc(=O)c2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
KDM4E B2RXH2 4/20 0.47
USP2 O75604 1/20 0.47
CSNK2A2 P19784 1/20 0.47
PTGS1 P23219 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
CAPN1 P07384 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 4/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
TNKS O95271 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
ABCB1 P08183 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44

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
SCHEMBL11508591 0.77 HPGD (0.51) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL28404110 0.77 PPARG (0.52) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL28404112 0.73 CYP2C9 (0.50) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL5340573 0.72 TNKS (0.59) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL22231687 0.70 NPC1 (0.42) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL21510140 0.69 TNKS (0.49) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL30503392 0.69 KDM4E (0.56) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL2483048 0.69 KDM4E (0.56) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL16915378 0.69 HPGD (0.62) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL24310220 0.68 CYP11B1 (0.77) PPARGKDM4EUSP2CSNK2A2PTGS1

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-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed