SCHEMBL14530962

SCHEMBL14530962

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.40
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GCK P35557 7/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 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
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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 0.91 MAPT (0.36) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5313628 0.91 MAPT (0.36) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5334200 0.90 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5334207 0.90 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5310753 0.88 PTPN1 (0.39) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5310760 0.88 PTPN1 (0.39) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5309669 0.88 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5309664 0.88 PTPN1 (0.38) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5310815 0.88 PTPN1 (0.40) PTPN1MAPTSMN1; SMN2TP53PPARG
SCHEMBL5310820 0.88 PTPN1 (0.40) PTPN1MAPTSMN1; SMN2TP53PPARG

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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