SCHEMBL9840273

SCHEMBL9840273

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

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 14/20 0.80
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL22041637 0.89 GPR35 (0.78) GPR35MAOAMAOBHPGDUSP2
SCHEMBL9587791 0.83 GPR35 (0.77) GPR35MAOAMAOBHPGDUSP2
SCHEMBL22654541 0.82 GPR35 (1.00) GPR35MAOAMAOBHPGDUSP2
SCHEMBL28598264 0.81 GPR35 (1.00) GPR35HPGDALDH1A1LMNA
SCHEMBL3080344 0.79 GPR35 (1.00) GPR35MAOAMAOBHPGDGRIN1
SCHEMBL22041605 0.77 GPR35 (0.74) GPR35MAOAMAOBHPGDUSP2
SCHEMBL982630 0.77 GPR35 (0.72) GPR35MAOAMAOBHPGDUSP2
SCHEMBL22041606 0.76 GPR35 (0.71) GPR35MAOAMAOBHPGDUSP2
SCHEMBL6479840 0.76 GPR35 (0.65) GPR35MAOAMAOBHPGDUSP2
SCHEMBL9319388 0.76 GPR35 (0.82) GPR35HPGDHSD17B10ALDH1A1

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-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed