SCHEMBL30454075

SCHEMBL30454075

Cc1c(-c2cccc(Cl)c2)cnc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.46
PIN1 Q13526 1/20 0.43
MDM2 Q00987 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ADORA1 P30542 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL24257585 1.00 PTGER1 (0.47) PTGER1CYP2C9CYP3A4PIN1MDM2
SCHEMBL24257668 0.89 FFAR1 (0.43) PTGER1PIN1MRGPRX4ADORA1
SCHEMBL30453291 0.87 C5AR1 (0.43) PTGER1MRGPRX4
SCHEMBL24257669 0.87 C5AR1 (0.43) PTGER1MRGPRX4
SCHEMBL24257539 0.86 MCL1 (0.44) PTGER1MRGPRX4
SCHEMBL30453121 0.86 MAOB (0.47) CYP2C9CYP3A4PIN1MRGPRX4ADORA1
SCHEMBL24257685 0.86 MAOB (0.47) CYP2C9CYP3A4PIN1MRGPRX4ADORA1
SCHEMBL24257835 0.84 VEGFA (0.49) ADORA1GPR119
SCHEMBL24257532 0.84 CNR2 (0.48) PTGER1CYP2C9CYP3A4ADORA1MAPK1
SCHEMBL30453143 0.84 CNR2 (0.48) PTGER1CYP2C9CYP3A4ADORA1MAPK1

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
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed