SCHEMBL30452530

SCHEMBL30452530

CCc1c(-c2cccc(Cl)c2)cnc(C(=O)O)c1OCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.45
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGER1 P34995 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL26260166 1.00 USP7 (0.45) USP7RXRARXRBRXRGMAPK1
SCHEMBL30452288 0.84 VEGFA (0.47) USP7MAPK1MAPK10RAB9ASMN1; SMN2
SCHEMBL24257856 0.82 USP7 (0.43) USP7MAPK1MAPK10RAB9ASMN1; SMN2
SCHEMBL30454075 0.79 PTGER1 (0.47) RXRARXRBRXRGMAPK1MAPK10
SCHEMBL24257585 0.79 PTGER1 (0.47) RXRARXRBRXRGMAPK1MAPK10
SCHEMBL30453121 0.74 MAOB (0.47) MAPK1RAB9ASMN1; SMN2NPC1MRGPRX4
SCHEMBL24257685 0.74 MAOB (0.47) MAPK1RAB9ASMN1; SMN2NPC1MRGPRX4
SCHEMBL31636637 0.74 PTGER1 (0.48) RXRARXRBRXRGMAPK1MAPK10
SCHEMBL24257604 0.73 PTGER1 (0.44) RXRARXRBRXRGMAPK1MAPK10
SCHEMBL30546880 0.73 PTGER1 (0.44) RXRARXRBRXRGMAPK1MAPK10

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