SCHEMBL7330215

SCHEMBL7330215

CCCCCC(=O)NC([C]=O)C(CO)(CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)Cc1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
SIRT2 Q8IXJ6 14/20 0.41
CAPN1 P07384 1/20 0.40
CAPN2 P17655 1/20 0.40
SIRT1 Q96EB6 11/20 0.39
SIRT3 Q9NTG7 8/20 0.39
CTSK P43235 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7324481 0.89 CAPN1 (0.36) CTSLCTSSSIRT2CAPN1CAPN2
SCHEMBL7329784 0.85 CTSB (0.42) CTSLCTSSSIRT2CAPN1CAPN2
SCHEMBL7323250 0.85 SOAT1 (0.37) CTSLCTSSSIRT2CAPN1CAPN2
SCHEMBL7329917 0.85 SIRT2 (0.35) CTSLCTSSSIRT2
SCHEMBL7323289 0.79 CTSL (0.41) CTSLCTSSSIRT2CAPN1CAPN2
SCHEMBL9296873 0.76 SIRT2 (0.40) CTSLCTSSSIRT2CAPN1CAPN2
SCHEMBL7327305 0.75 CTSB (0.40) SIRT2CAPN1CAPN2SIRT1SIRT3
SCHEMBL7330327 0.74 SOAT1 (0.32)
SCHEMBL7321181 0.73 SIRT2 (0.39) CTSLCTSSSIRT2CAPN1CAPN2
SCHEMBL7331504 0.73 SIRT2 (0.38) CTSLCTSSSIRT2CAPN1CAPN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed