SCHEMBL9533970

SCHEMBL9533970

O=c1cc(OCc2ccccc2)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
CSNK2A2 P19784 1/20 0.51
PTGS1 P23219 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
LMNA P02545 1/20 0.50
MAOB P27338 3/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
NPC1 O15118 1/20 0.49
CA12 O43570 1/20 0.49
TNKS O95271 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TP53 P04637 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL26193070 0.83 KMT2A (0.46) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL22249428 0.81 KMT2A (0.44) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL28647464 0.78 HPGD (0.48) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL10520741 0.78 ABCB1 (0.47) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL28739774 0.77 CYP3A4 (0.50) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL31140205 0.77 MAOB (0.53) PPARGKDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL8786379 0.76 ABCB1 (0.45) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL29799485 0.76 MAOB (0.52) KDM4ECSNK2A2CSNK2BCSNK2A1LMNA
SCHEMBL4657823 0.76 NPC1 (0.54) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL11452110 0.75 KCNA3 (0.65) MAOBNPC1CA12CA1TP53

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
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP claimed