SCHEMBL7376408

SCHEMBL7376408

CC(=O)C(C)CC(=S)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.39
REN P00797 4/20 0.39
KLK5 Q9Y337 1/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.37
PEPD P12955 2/20 0.37
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
ROCK2 O75116 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
SCHEMBL7373401 0.84 ACE (0.40) ACERENKLK5HSD17B10POLB
SCHEMBL7380815 0.81 ACE (0.58) ACERENHSD17B10PEPDKDM4E
SCHEMBL7376742 0.81 HSD17B10 (0.40) ACEKLK5HSD17B10PEPDLMNA
SCHEMBL26724941 0.78 KLK5 (0.47) ACERENKLK5HSD17B10POLB
SCHEMBL11124849 0.77 ACE (0.68) ACERENKLK5HSD17B10POLB
SCHEMBL11124851 0.77 ACE (0.68) ACERENKLK5HSD17B10POLB
SCHEMBL15223614 0.76 ACE (0.49) ACERENHSD17B10POLBPEPD
SCHEMBL10667535 0.76 HSD17B10 (0.47) KLK5HSD17B10POLBLMNAROCK2
SCHEMBL7886209 0.76 HSD17B10 (0.47) KLK5HSD17B10POLBLMNAROCK2
SCHEMBL14426644 0.76 HSD17B10 (0.47) KLK5HSD17B10POLBLMNAROCK2

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-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
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 US disclosed