SCHEMBL11192007

SCHEMBL11192007

CC(=O)[C@@H](CS)C1SC[C@@H](C(=O)O)N1C(=O)[C@@H](CS)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.38
▸ FFAR2 O15552 1/20 0.35

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
SCHEMBL11061433 0.80 HSD17B10 (0.49) ACEFFAR2
SCHEMBL11066109 0.77 ACE (0.63) ACEFFAR2
SCHEMBL10938811 0.77 ACE (0.63) ACEFFAR2
SCHEMBL11067693 0.76 ACE (0.41) ACEFFAR2
SCHEMBL11304547 0.74 SLC18A3 (0.37) ACE
SCHEMBL11110323 0.73 FFAR2 (0.47) ACEFFAR2
SCHEMBL10995336 0.71 FFAR2 (0.43) ACEFFAR2
SCHEMBL10968292 0.71 ACE (0.64) ACEFFAR2
SCHEMBL10999348 0.68 ACE (0.47) ACEFFAR2
SCHEMBL11090000 0.67 FFAR2 (0.44) ACEFFAR2

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
US-4423054-A Antihypertensive 4-thiazolidinecarboxylic acids (substituted alkyl derivatives) SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 — — US claimed
Send feedback