SCHEMBL5313525

SCHEMBL5313525

CCCON=C(COc1ccc(NCC)c(C(=O)OC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ PLA2G2A P14555 3/20 0.35
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 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
SCHEMBL5313519 1.00 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5313621 0.93 MAPT (0.38) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5313617 0.93 MAPT (0.38) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5342152 0.90 MAPT (0.43) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5342145 0.90 MAPT (0.43) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5316159 0.86 MAPT (0.41) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5316156 0.86 MAPT (0.41) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5315798 0.85 MAPT (0.39) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5315795 0.85 MAPT (0.39) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL5312224 0.85 PLA2G2A (0.42) SMN1; SMN2RAB9AKDM4EMEN1KMT2A

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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