SCHEMBL5310820

SCHEMBL5310820

CCCON=C(COc1cc(C(=O)O)cc(C(=O)OC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.40
▸ MAPT P10636 6/20 0.39
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALPL P05186 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ CSGALNACT1 Q8TDX6 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
SCHEMBL5310815 1.00 PTPN1 (0.40) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5316156 0.97 MAPT (0.41) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5316159 0.97 MAPT (0.41) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5316162 0.93 PTPN1 (0.38) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5310817 0.91 MAPT (0.38) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5310823 0.91 MAPT (0.38) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5312938 0.90 MAPT (0.38) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5312934 0.90 MAPT (0.38) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5310781 0.90 ADCY8 (0.39) PTPN1MAPTLMNASMN1; SMN2TP53
SCHEMBL5310786 0.90 ADCY8 (0.39) PTPN1MAPTLMNASMN1; SMN2TP53

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
Send feedback