SCHEMBL27697441

SCHEMBL27697441

COC(=O)c1c(C(=O)O)c2cc(Oc3cccc(Cl)c3)ccc2n1-c1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.48
KDM4E B2RXH2 1/20 0.43
USP14 P54578 1/20 0.43
MAPK8 P45983 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK9 P45984 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
SCHEMBL27697440 0.94 PPARG (0.45) PPARGKDM4EUSP14MAPK8CYP1A2
SCHEMBL333958 0.92 KDM4E (0.42) PPARGKDM4EUSP14MAPK8CYP1A2
SCHEMBL27717567 0.86 PPARG (0.41) PPARGKDM4EUSP14CYP1A2CYP3A4
SCHEMBL333957 0.86 MAPT (0.42) PPARGKDM4EUSP14MAPK8CYP1A2
SCHEMBL333839 0.83 PPARG (0.47) PPARGKDM4EUSP14MEN1KMT2A
SCHEMBL334342 0.83 USP14 (0.45) PPARGKDM4EUSP14MEN1KMT2A
SCHEMBL27697434 0.81 PTGER4 (0.44) PPARGKDM4EUSP14SMN1; SMN2
SCHEMBL27717661 0.81 MAPT (0.56) PPARGKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL28767827 0.77 USP14 (0.43) KDM4EUSP14MEN1KMT2AMAPT
SCHEMBL334103 0.76 PTGES (0.50) USP14MEN1KMT2AMAPTSMN1; SMN2

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-101142185-A Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2008-03-12 CN disclosed