SCHEMBL9068533

SCHEMBL9068533

CC(=O)SCC(Cc1ccccc1)NC(=O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.62
ACE P12821 2/20 0.53
PAM P19021 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9068906 0.87 MME (0.54) MMEACE
SCHEMBL9068556 0.85 MME (0.53) MMEACE
SCHEMBL8837469 0.84 FCER2 (0.50) MMEACEPAMCYP3A4MAPK1
SCHEMBL7450894 0.84 MME (0.52) MMEACEPAMCYP3A4MAPK1
SCHEMBL9587602 0.83 MME (0.48) MMEACEPAMCYP3A4MAPK1
SCHEMBL7298881 0.82 MME (0.58) MMEACEPAMCYP3A4MAPK1
SCHEMBL9587952 0.82 MME (0.47) MMEACEPAMCYP3A4MAPK1
SCHEMBL7304584 0.80 MME (0.46) MMEACECYP3A4
SCHEMBL9588793 0.80 CYP3A4 (0.46) MMEACEPAMCYP3A4MAPK1
SCHEMBL18576675 0.80 CTRB1 (0.65) CYP3A4

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed