SCHEMBL22041598

SCHEMBL22041598

CC(=O)Oc1c(Cl)c(Cl)cc2cc(C(=O)O)c(=O)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 14/20 0.55
▸ HPGD P15428 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
▸ MAOB P27338 2/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 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
SCHEMBL22041628 0.80 GPR35 (0.47) GPR35HPGDUSP2POLBALOX15
SCHEMBL22041626 0.79 GPR35 (0.64) GPR35HPGDUSP2POLBALOX15
SCHEMBL9319268 0.78 ADORA3 (0.67) GPR35HPGDPOLBHSD17B10CA12
SCHEMBL22041595 0.78 GPR35 (0.47) GPR35HPGDUSP2POLBALOX15
SCHEMBL12038474 0.78 GPR35 (0.50) GPR35HPGDUSP2POLBALOX15
SCHEMBL22041606 0.77 GPR35 (0.71) GPR35HPGDUSP2POLBALOX15
SCHEMBL11347549 0.71 CA12 (0.77) GPR35HPGDPOLBHSD17B10MAOB
SCHEMBL9068668 0.71 GPR35 (1.00) GPR35HPGDUSP2POLBALOX15
SCHEMBL1096938 0.70 KDM4E (0.45) HPGDUSP2CASP1HSD17B10ALDH1A1
SCHEMBL17942936 0.70 KDM4E (0.42) GPR35HPGDPOLBALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285790-A 3-carboxycoumarin derivative capable of serving as GPR35 agonist, preparation method and application 泰州医药城国科化物生物医药科技有限公司 2020-06-16 — — CN claimed
WO-2020114290-A1 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION 泰州医药城国科化物生物医药科技有限公司 2020-06-11 — — WO claimed
CN-111285790-A 3-carboxycoumarin derivative capable of serving as GPR35 agonist, preparation method and application 泰州医药城国科化物生物医药科技有限公司 2020-06-16 — — CN disclosed
WO-2020114290-A1 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION 泰州医药城国科化物生物医药科技有限公司 2020-06-11 — — WO disclosed
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