SCHEMBL5316013

SCHEMBL5316013

CCCON=C(COc1ccc(-c2ccccc2)c(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ HAVCR2 Q8TDQ0 1/20 0.37

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
SCHEMBL5316012 1.00 PTPN11 (0.42) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5312944 0.90 PTPN1 (0.40) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5312940 0.90 PTPN1 (0.40) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5331961 0.88 MAPT (0.39) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5331968 0.88 MAPT (0.39) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5313700 0.88 PTPN1 (0.38) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5313698 0.88 PTPN1 (0.38) PTPN11MEN1KMT2AALDH1A1RAB9A
SCHEMBL5310846 0.87 PDE10A (0.43) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL14530972 0.87 PDE10A (0.43) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5314039 0.87 MEN1 (0.41) PTPN11MEN1KMT2AALDH1A1RAB9A

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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