SCHEMBL7362142

SCHEMBL7362142

NC(CCCS)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 11/20 0.52
ANPEP P15144 3/20 0.48
FOLH1 Q04609 4/20 0.45
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36

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
SCHEMBL288013 0.86
SCHEMBL23391155 0.86
SCHEMBL562061 0.79 GSR (0.46) ENPEPANPEPS1PR2S1PR1ALDH1A1
SCHEMBL285212 0.79 ENPEP (0.65) ENPEPANPEPFOLH1S1PR2S1PR1
SCHEMBL28185762 0.79 ENPEP (0.43) ENPEPANPEPS1PR2S1PR1ALDH1A1
SCHEMBL159650 0.79 GSR (0.46) ENPEPANPEPS1PR2S1PR1ALDH1A1
SCHEMBL288689 0.79 GSR (0.46) ENPEPANPEPS1PR2S1PR1ALDH1A1
SCHEMBL289092 0.79 ENPEP (0.65) ENPEPANPEPFOLH1S1PR2S1PR1
SCHEMBL60354 0.79 GSR (0.46) ENPEPANPEPS1PR2S1PR1ALDH1A1
SCHEMBL6666416 0.78 ENPEP (0.46) ENPEPANPEPS1PR2S1PR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed