SCHEMBL9546740

SCHEMBL9546740

COC(=O)[C@H](C)OC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL9546488 1.00 MGLL (0.33) MGLLTHRBRECQLKMT2AKDM4E
SCHEMBL21713063 0.84 ALDH1A1 (0.35) MGLLRECQLKMT2AKDM4EMEN1
SCHEMBL756450 0.82 MGLL (0.36) MGLLTHRBKMT2AALDH1A1HPGD
SCHEMBL726706 0.80 MGLL (0.37) MGLLKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9915235 0.77 THRB (0.33) MGLLTHRBKMT2AATM
SCHEMBL23631224 0.77 MGLL (0.35) MGLL
SCHEMBL15800069 0.77 MGLL (0.35) MGLL
SCHEMBL20445556 0.77 MGLL (0.35) MGLL
SCHEMBL10455571 0.77 MGLL (0.38) MGLL
SCHEMBL978470 0.77 MGLL (0.33) MGLL

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-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed