SCHEMBL7294146

SCHEMBL7294146

CC(C)OC(=O)C(NC(=O)[C@H](Cc1ccccc1)NCOCc1ccccc1)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.44
CTSB P07858 5/20 0.44
CTSS P25774 4/20 0.44
CTSK P43235 3/20 0.44
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
MME P08473 1/20 0.41
PSMB5 P28074 1/20 0.41

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
SCHEMBL9725868 0.84 CTSL (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7293240 0.81 CTSB (0.45) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7285600 0.79 CTSL (0.46) CTSLCTSBCTSSCTSKMMP9
SCHEMBL7285846 0.79 CTSL (0.44) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7292590 0.77 TACR1 (0.46) CTSLCTSBCTSSCTSKTACR1
SCHEMBL4328694 0.76 CTRB1 (0.53) CTSLCTSBCTSSCTSK
SCHEMBL7268083 0.75 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16460328 0.74 CTSK (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16460327 0.74 CTSK (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7277116 0.73 CTSS (0.45) 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
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed