SCHEMBL29030433

SCHEMBL29030433

CCCc1c(C=Cc2ccccc2)ccc(C(=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
PTPN1 P18031 3/20 0.43
HNF4A P41235 1/20 0.43
PTPN6 P29350 1/20 0.43
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX3 P56373 1/20 0.38

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
SCHEMBL29030424 0.89 PIM1 (0.48) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL23985865 0.79 PIM1 (0.55) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL5960476 0.79 PIM1 (0.55) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL8836312 0.78 THRB (0.39) TRPA1
SCHEMBL29030432 0.78 PIM1 (0.51) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL9176150 0.75 CYSLTR2 (0.46)
SCHEMBL9176148 0.75 CYSLTR2 (0.46)
SCHEMBL10726758 0.74 SELL (0.53) KDM4E
SCHEMBL28512376 0.72 LDHA (0.47) KDM4E
SCHEMBL22887320 0.72 PTPN1 (0.57) PIM1PTPN1HNF4APTPN6TRPA1

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
CN-116410365-A Polypropylene catalyst and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed