SCHEMBL9587791

SCHEMBL9587791

O=C(O)c1cc2cc(O)c(O)c(O)c2oc1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 15/20 0.77
MAOA P21397 2/20 0.61
HPGD P15428 2/20 0.55
MAOB P27338 2/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50

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
SCHEMBL9587484 0.85 GPR35 (0.56) GPR35MAOAHPGDMAOBUSP2
SCHEMBL9840273 0.83 GPR35 (0.80) GPR35MAOAHPGDMAOBUSP2
SCHEMBL982630 0.83 GPR35 (0.72) GPR35MAOAHPGDMAOBUSP2
SCHEMBL6490859 0.81 GPR35 (0.76) GPR35MAOAHPGDMAOBUSP2
SCHEMBL7066529 0.80 GPR35 (0.77) GPR35MAOAHPGDMAOBUSP2
SCHEMBL737629 0.79 GPR35 (0.66) GPR35MAOAHPGDMAOBUSP2
SCHEMBL22041606 0.79 GPR35 (0.71) GPR35MAOAHPGDMAOBUSP2
SCHEMBL22041637 0.79 GPR35 (0.78) GPR35MAOAHPGDMAOBUSP2
SCHEMBL29406299 0.79 GPR35 (0.66) GPR35MAOAHPGDMAOBUSP2
SCHEMBL6479840 0.79 GPR35 (0.65) GPR35MAOAHPGDMAOBUSP2

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
WO-1993016064-A1 COUMARIN DERIVATIVES AND THEIR ANALOGUES INHIBITING CELL PROLIFERATION AND TUMOUR GROWTH, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOSIGNAL, Kutató-Fejleszto^' Kft. (HU) 1993-08-19 WO claimed
WO-1993016064-A1 COUMARIN DERIVATIVES AND THEIR ANALOGUES INHIBITING CELL PROLIFERATION AND TUMOUR GROWTH, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOSIGNAL, Kutató-Fejleszto^' Kft. (HU) 1993-08-19 WO disclosed