SCHEMBL11546808

SCHEMBL11546808

CCOC(=S)SCCC(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
PRCP P42785 2/20 0.33
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL11545180 0.88 PRCP (0.34) PRCPDPP4DPP8DPP7
SCHEMBL11549946 0.84 PRCP (0.33) PRCPDPP7
SCHEMBL7376051 0.82 PRCP (0.34) PRCPDPP4DPP8DPP7
SCHEMBL11618241 0.82 PRCP (0.38) ALDH1A1PRCPDPP4DPP8TDP1
SCHEMBL11545563 0.81 PRCP (0.33) PRCPDPP7
SCHEMBL11549357 0.79 PRCP (0.39) PRCPDPP4KDM4EDPP7
SCHEMBL11546116 0.79 MEN1 (0.39) ALDH1A1PRCPDPP4DPP8KDM4E
SCHEMBL23039193 0.77 PRCP (0.35) PRCPDPP4DPP8DPP7
SCHEMBL599792 0.77 ALDH1A1 (0.45) ALDH1A1PRCPDPP4DPP8DPP7
SCHEMBL542283 0.77 NOS2 (0.39) PRCPDPP4DPP8DPP7

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-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed