SCHEMBL5313617

SCHEMBL5313617

CCCO/N=C(\COc1ccc(NCC)c(C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PTPN1 P18031 4/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ HAVCR2 Q8TDQ0 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CSGALNACT1 Q8TDX6 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL5313621 1.00 MAPT (0.38) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5313519 0.93 SMN1; SMN2 (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5313525 0.93 SMN1; SMN2 (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5312944 0.88 PTPN1 (0.40) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5312940 0.88 PTPN1 (0.40) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5316012 0.87 PTPN11 (0.42) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5316013 0.87 PTPN11 (0.42) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5331961 0.87 MAPT (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5331968 0.87 MAPT (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5313698 0.86 PTPN1 (0.38) MAPTLMNASMN1; SMN2MEN1KMT2A

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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