SCHEMBL7319638

SCHEMBL7319638

COC(=O)C(NC(=O)C(NC(=O)CCCCCCc1ccccc1)C(CO)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSB P07858 8/20 0.46
CASP1 P29466 1/20 0.43
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CYP1A2 P05177 1/20 0.40
REN P00797 1/20 0.40
CAPN1 P07384 1/20 0.40
CAPN2 P17655 1/20 0.40
CTSD P07339 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
SCHEMBL7321477 0.89 CASP1 (0.46) CASP1CTSD
SCHEMBL7329312 0.87 CTSD (0.42) CASP1CTSD
SCHEMBL7322813 0.84 CTSD (0.37) CASP1CA2CA5ACTSD
SCHEMBL7323405 0.84 SYK (0.46) CTSKCTSBCASP1RENCTSD
SCHEMBL7329206 0.83 CTSB (0.42) CTSKCTSBCAPN1CAPN2
SCHEMBL9297033 0.83 CTSB (0.42) CTSKCTSBCASP1CA2CA5A
SCHEMBL7327018 0.81 CASP1 (0.47) CASP1CTSD
SCHEMBL9296228 0.81 CASP1 (0.54) CASP1CTSD
SCHEMBL7332099 0.81 LNPEP (0.37) CTSKCTSBCASP1CA2CA5A
SCHEMBL9296340 0.80 CTSB (0.42) CTSKCTSBCASP1CA2CA5A

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