SCHEMBL5315673

SCHEMBL5315673

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ SENP2 Q9HC62 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL5315675 1.00 MAPT (0.39) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5331961 0.92 MAPT (0.39) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5331968 0.92 MAPT (0.39) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5315795 0.84 MAPT (0.39) MAPTRAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL5315798 0.84 MAPT (0.39) MAPTRAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL5342145 0.84 MAPT (0.43) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5342152 0.84 MAPT (0.43) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5312940 0.83 PTPN1 (0.40) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5312944 0.83 PTPN1 (0.40) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5316162 0.83 PTPN1 (0.38) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1

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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