SCHEMBL11202128

SCHEMBL11202128

O=C(O)[C@@H]1CSC(c2ccccc2O)N1C(=O)CCBr

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.78
LMNA P02545 1/20 0.46
FFAR2 O15552 11/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11004289 0.89 ACE (0.80) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL8398559 0.89 ACE (0.80) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10944184 0.89 ACE (0.80) ACELMNAFFAR2ALDH1A1POLB
Rentiapril SCHEMBL11065900 0.88 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB
Rentiapril SCHEMBL294980 0.88 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10942930 0.88 ACE (0.78) ACELMNAFFAR2ALDH1A1POLB
Rentiapril SCHEMBL323403 0.88 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB
Rentiapril SCHEMBL30422754 0.88 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11185062 0.87 ACE (0.77) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10979196 0.87 ACE (0.77) ACELMNAFFAR2ALDH1A1POLB

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-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 US disclosed