SCHEMBL5316174

SCHEMBL5316174

CCCON=C(COc1ccc2c(C(=O)O)cccc2c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.40
▸ PPARA Q07869 7/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ HAVCR2 Q8TDQ0 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DHODH Q02127 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5309702 0.91 PDE10A (0.43) PPARGPPARAPTPN1PDE10ASMN1; SMN2
SCHEMBL5309698 0.91 PDE10A (0.43) PPARGPPARAPTPN1PDE10ASMN1; SMN2
SCHEMBL14530972 0.87 PDE10A (0.43) PPARGPPARAPTPN1PDE10ASMN1; SMN2
SCHEMBL5310846 0.87 PDE10A (0.43) PPARGPPARAPTPN1PDE10ASMN1; SMN2
SCHEMBL5316013 0.86 PTPN11 (0.42) PPARGPPARAPTPN1PDE10AHAVCR2
SCHEMBL5316012 0.86 PTPN11 (0.42) PPARGPPARAPTPN1PDE10AHAVCR2
SCHEMBL5312944 0.86 PTPN1 (0.40) PPARGPPARAPTPN1PDE10AHAVCR2
SCHEMBL5312940 0.86 PTPN1 (0.40) PPARGPPARAPTPN1PDE10AHAVCR2
SCHEMBL5311834 0.85 MAPT (0.47) PPARGPPARAPTPN1HAVCR2CYP1A2
SCHEMBL5311831 0.85 MAPT (0.47) PPARGPPARAPTPN1HAVCR2CYP1A2

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-2007058504-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) 2007-05-24 — — WO disclosed
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