SCHEMBL9725868

SCHEMBL9725868

CC(C)OC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.60
CTSB P07858 4/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
TACR1 P25103 2/20 0.58
CAPN1 P07384 1/20 0.53

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
SCHEMBL7268083 0.91 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL4328694 0.88 CTRB1 (0.53) CTSLCTSBCTSSCTSK
SCHEMBL16460327 0.85 CTSK (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16460328 0.85 CTSK (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7294146 0.84 CTSL (0.44) CTSLCTSBCTSSCTSKTACR1
SCHEMBL19807564 0.83 TACR1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10802556 0.83 CTSL (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7268195 0.82 CTSL (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8750890 0.81 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL23819280 0.81 CTSL (0.61) CTSLCTSBCTSSCTSKTACR1

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 disclosed