SCHEMBL10691553

SCHEMBL10691553

O=C(O)CNC(=O)C(CNO)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.70
ACE P12821 4/20 0.70
ALDH1A1 P00352 2/20 0.70
ECE1 P42892 2/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MEN1 O00255 1/20 0.70
MAPT P10636 1/20 0.70
BLM P54132 1/20 0.70
NPEPPS P55786 1/20 0.70
KMT2A Q03164 1/20 0.70

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
SCHEMBL10447979 0.89 MME (0.81) MMEACEALDH1A1ECE1HPGD
SCHEMBL7103054 0.84 MME (0.74) MMEACEALDH1A1ECE1HPGD
SCHEMBL825762 0.84 MME (0.74) MMEACEALDH1A1ECE1HPGD
SCHEMBL9622300 0.83 MME (0.72) MMEACEALDH1A1ECE1HPGD
SCHEMBL9622302 0.83 MME (0.72) MMEACEALDH1A1ECE1HPGD
(R)-Thiorphan SCHEMBL7312756 0.83 MME (1.00) MMEACEALDH1A1ECE1HPGD
Thiorphan SCHEMBL401174 0.83 MME (1.00) MMEACEALDH1A1ECE1HPGD
(S)-Thiorphan SCHEMBL49662 0.83 MME (1.00) MMEACEALDH1A1ECE1HPGD
SCHEMBL7325845 0.82 MME (1.00) MMEACEALDH1A1ECE1HPGD
SCHEMBL7325851 0.82 MME (1.00) MMEACEALDH1A1ECE1HPGD

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
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed