SCHEMBL7333273

SCHEMBL7333273

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.44
CTSK P43235 6/20 0.43
CTSB P07858 4/20 0.43
CTSD P07339 2/20 0.42
CTRB1 P17538 2/20 0.41
PSMB5 P28074 2/20 0.41
CTSL P07711 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10378645 0.97 REN (0.44) RENCTSKCTSBCTSDCTRB1
SCHEMBL7320456 0.92 REN (0.46) RENCTSKCTSBCTSDCYP3A4
SCHEMBL7329720 0.91 CTSB (0.53) RENCTSKCTSBCTSD
SCHEMBL7330377 0.84 CTRB1 (0.43) CTSKCTSBCTRB1PSMB5CTSL
SCHEMBL7333276 0.83 REN (0.53) RENCTSD
SCHEMBL7329705 0.83 CTSD (0.40) CTSDCYP3A4
SCHEMBL7329712 0.82 REN (0.52) RENCTSD
SCHEMBL7332055 0.77 CTSD (0.39) RENCTSD
SCHEMBL30601624 0.77 CYP3A4 (0.55) RENCTSKCTSBCTSDCTRB1
SCHEMBL7325303 0.76 REN (0.49) RENCTSD

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