SCHEMBL11212474

SCHEMBL11212474

COC1(OC)C[C@@H](C(=O)O)N(C(=O)C(C)(C)CS)C1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL11208686 0.82 LMNA (0.34) LMNACYP2C19HSD17B10
SCHEMBL11212494 0.80 ACE (0.31) LMNACYP2C19HSD17B10
SCHEMBL11214081 0.77 ACE (0.41)
SCHEMBL11210153 0.76 ACE (0.38) LMNAHSD17B10
SCHEMBL11210570 0.76 LMNA (0.50) LMNACYP2C19HSD17B10
SCHEMBL11219671 0.76 LMNA (0.50) LMNACYP2C19HSD17B10
SCHEMBL11212457 0.75 ACE (0.34)
SCHEMBL11209390 0.75 ACE (0.52) LMNAHSD17B10
SCHEMBL11209393 0.75 ACE (0.52) LMNAHSD17B10
SCHEMBL11214459 0.74 ACE (0.34) LMNAHSD17B10

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-4311697-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed