SCHEMBL5311809

SCHEMBL5311809

CCCO/N=C(\COc1ccccc1CC(=O)O)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LTB4R Q15722 3/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.40
▸ PPARG P37231 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PTPN1 P18031 2/20 0.36

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
SCHEMBL5311812 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1LTB4RLTB4R2
SCHEMBL5314031 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1LTB4RLTB4R2
SCHEMBL5314039 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1LTB4RLTB4R2
SCHEMBL14530969 0.85 RAB9A (0.45) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL14530972 0.84 PDE10A (0.43) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL5310846 0.84 PDE10A (0.43) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL5315012 0.83 MAPT (0.38) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL5315006 0.83 MAPT (0.38) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL5361836 0.82 MAPT (0.38) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL5314643 0.81 PLA2G2A (0.42) MEN1KMT2AALDH1A1PPARGPPARA

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 2 patents. 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
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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