SCHEMBL7426175

SCHEMBL7426175

CCOP(=O)(CCCCCCN)NC1CSC(c2ccccc2)N(CC(=O)O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ACE P12821 1/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7426180 1.00 ITGB3 (0.35) ITGB3ITGB1ITGAVITGA5ACE
SCHEMBL11104778 0.90 LMNA (0.38) ACEPOLBHPGDSMN1; SMN2
SCHEMBL11104772 0.90 LMNA (0.38) ACEPOLBHPGDSMN1; SMN2
SCHEMBL11109004 0.88 ALDH1A1 (0.37) HPGD
SCHEMBL7431619 0.88 ALDH1A1 (0.37) HPGD
SCHEMBL11114124 0.86 ACE (0.35) ACE
SCHEMBL11114123 0.86 ACE (0.35) ACE
SCHEMBL11111836 0.82 ACE (0.35) ACE
SCHEMBL11111840 0.82 ACE (0.35) ACE
SCHEMBL11107888 0.81 LMNA (0.35) ACEHPGD

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
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed
US-4460579-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1984-07-17 US disclosed