SCHEMBL9650102

SCHEMBL9650102

CCCCCCCCCCCCc1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.53
PPARA Q07869 3/20 0.50
PLK1 P53350 6/20 0.44
STAT3 P40763 1/20 0.44
PPARG P37231 2/20 0.44
RARB P10826 4/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
PLK3 Q9H4B4 3/20 0.43
CNR2 P34972 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
EP300 Q09472 1/20 0.40
KAT5 Q92993 1/20 0.40

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
SCHEMBL9652690 1.00 KAT8 (0.53) KAT8PPARAPLK1STAT3PPARG
SCHEMBL9652592 0.90 MCL1 (0.42) KAT8PPARAAKR1C2AKR1C1
SCHEMBL19056632 0.88 PTGS2 (0.47) KAT8PPARAPPARGCNR2
SCHEMBL8915510 0.87 KAT8 (0.39) KAT8PPARASTAT3AKR1C2AKR1C1
SCHEMBL9252477 0.84 PTPN1 (0.42) AKR1C2AKR1C1
SCHEMBL11284915 0.83 PTPN1 (0.54)
SCHEMBL29357051 0.82 HSPA5 (0.44) KAT8PPARAPPARGCNR2
SCHEMBL39136 0.82 HSPA5 (0.44) KAT8PPARAPPARGCNR2
SCHEMBL8369567 0.82 TRPV1 (0.41) KAT8PPARASTAT3PPARGCNR2
SCHEMBL8367622 0.82 TRPV1 (0.41) KAT8PPARASTAT3PPARGCNR2

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-5141557-A Mixture of benzoic acid salt, anionic surfactant, and novolak phenolic resin BROTHER KOGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed