SCHEMBL7293240

SCHEMBL7293240

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.45
CTSS P25774 8/20 0.45
CTSL P07711 5/20 0.45
CTSK P43235 5/20 0.45
TACR1 P25103 2/20 0.43
PSMB5 P28074 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL7277116 0.87 CTSS (0.45) CTSBCTSSCTSLCTSKTACR1
SCHEMBL7268195 0.83 CTSL (0.63) CTSBCTSSCTSLCTSKTACR1
SCHEMBL7294146 0.81 CTSL (0.44) CTSBCTSSCTSLCTSKTACR1
SCHEMBL7292590 0.77 TACR1 (0.46) CTSBCTSSCTSLCTSKTACR1
SCHEMBL7285600 0.76 CTSL (0.46) CTSBCTSSCTSLCTSKPSMB5
SCHEMBL7285846 0.75 CTSL (0.44) CTSBCTSSCTSLCTSKTACR1
SCHEMBL7268325 0.70 CTSL (0.60) CTSBCTSSCTSLCTSKTACR1
SCHEMBL7275048 0.70 TACR1 (0.65) CTSBCTSSCTSLCTSKTACR1
SCHEMBL23115576 0.68 PSMB5 (0.59) CTSSCTSKPSMB5MMEACE
SCHEMBL7287953 0.67 KDM4E (0.40) CTSBCTSSCTSLCTSKTACR1

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