SCHEMBL11545273

SCHEMBL11545273

CC(CSCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.57
ACE2 Q9BYF1 5/20 0.55
REN P00797 3/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
F2 P00734 1/20 0.55
LTA4H P09960 1/20 0.55
MAPT P10636 1/20 0.55
PEPD P12955 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
HRH1 P35367 1/20 0.55
THPO P40225 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL11549184 0.87 KLK5 (0.47) ACEACE2LMNA
SCHEMBL9438793 0.86 ACE (0.73) ACEACE2LMNA
SCHEMBL9438796 0.86 ACE (0.73) ACEACE2LMNA
SCHEMBL7087534 0.86 ACE (0.55) ACELTA4H
SCHEMBL7382949 0.84 ACE (0.55) ACEACE2RENLMNAKDM4E
SCHEMBL11497547 0.84 ACE (0.66) ACEACE2RENLTA4H
SCHEMBL10521405 0.82 ACE (0.76) ACEACE2LMNAALOX15
SCHEMBL9439087 0.82 ACE (0.76) ACEACE2LMNAALOX15
SCHEMBL10521410 0.82 ACE (0.76) ACEACE2LMNAALOX15
SCHEMBL9439082 0.82 ACE (0.76) ACEACE2LMNAALOX15

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