SCHEMBL6507111

SCHEMBL6507111

CCON=C(C)C(C)(Cc1ccc(O)cc1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
BLM P54132 1/20 0.39
ESR1 P03372 6/20 0.39
ESR2 Q92731 5/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPRB P23467 4/20 0.34
KDM4E B2RXH2 1/20 0.34
F13A1 P00488 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MIF P14174 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6507108 1.00 MMP8 (0.39) MMP8BLMESR1ESR2MEN1
SCHEMBL6509010 0.90 ESR1 (0.40) MMP8BLMESR1ESR2MEN1
SCHEMBL6506768 0.88 ESR1 (0.42) MMP8BLMESR1ESR2MEN1
SCHEMBL6506766 0.88 ESR1 (0.42) MMP8BLMESR1ESR2MEN1
SCHEMBL6501851 0.86 MMP8 (0.42) MMP8BLMMEN1KMT2APTPRB
SCHEMBL6501855 0.86 MMP8 (0.42) MMP8BLMMEN1KMT2APTPRB
SCHEMBL6514361 0.80 ESR1 (0.48) MMP8BLMESR1ESR2MEN1
SCHEMBL3665931 0.72 ESR1 (0.53) BLMESR1ESR2MEN1TSHR
SCHEMBL9285117 0.69 BLM (0.53) BLMESR1ESR2MEN1TSHR
SCHEMBL503526 0.69 BLM (0.67) BLMESR1ESR2MEN1TSHR

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
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed