SCHEMBL5313628

SCHEMBL5313628

CCCO/N=C(\COc1cc(CC(=O)O)cc(OC(C)C)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PTPN1 P18031 4/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ CSGALNACT1 Q8TDX6 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PTGS2 P35354 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ PPARD Q03181 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
SCHEMBL5313635 1.00 MAPT (0.36) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL5315012 0.92 MAPT (0.38) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL5315006 0.92 MAPT (0.38) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL14530962 0.91 PTPN1 (0.40) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL5334200 0.83 PTPN1 (0.38) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL5334207 0.83 PTPN1 (0.38) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL14530969 0.82 RAB9A (0.45) MAPTLMNAPPARGPPARAKMT2A
SCHEMBL5310753 0.81 PTPN1 (0.39) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL5310760 0.81 PTPN1 (0.39) MAPTLMNAPTPN1PPARGPPARA
SCHEMBL5311812 0.81 MEN1 (0.40) MAPTLMNAPTPN1PPARGPPARA

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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