SCHEMBL9725796

SCHEMBL9725796

CC(C)O[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.43
CTSS P25774 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
EPHX1 P07099 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL7288303 0.91 REN (0.47) RENCTSSCTSL
SCHEMBL7288300 0.91 REN (0.47) RENCTSSCTSL
SCHEMBL7268094 0.84 REN (0.46) RENCTSSHDAC1HDAC2CTSL
SCHEMBL7268091 0.84 REN (0.46) RENCTSSHDAC1HDAC2CTSL
SCHEMBL9725820 0.83 REN (0.49) RENCTSSCTSL
SCHEMBL9725773 0.80 REN (0.46) RENCTSSCTSL
SCHEMBL9725744 0.79 REN (0.47) RENCTSSCTSL
SCHEMBL9725854 0.78 REN (0.47) RENCTSSCTSL
SCHEMBL9725888 0.76 REN (0.47) REN
SCHEMBL9725823 0.73 REN (0.47) REN

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US claimed