SCHEMBL7358377

SCHEMBL7358377

CC(=O)N(C(=O)C(N)C(C)C)C(C(=O)NC(C=CCc1ccccc1)Cc1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.39
CTRB1 P17538 3/20 0.37
LTA4H P09960 1/20 0.36
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
CTSL P07711 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB2 P49721 1/20 0.35

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
SCHEMBL7361627 0.87 CTSB (0.52) CTSBCTSL
SCHEMBL7270308 0.81 ALDH1A1 (0.42) CTRB1LTA4H
SCHEMBL7279585 0.80 CA2 (0.43) CTRB1ANPEPRNPEPDNPEP
SCHEMBL7362341 0.80 MAPK1 (0.56) CTRB1ANPEPRNPEPDNPEP
SCHEMBL7364429 0.77 REN (0.42) CTRB1ANPEPRNPEPDNPEP
SCHEMBL7358373 0.75 CTSB (0.44) CTSBCTRB1
SCHEMBL7358371 0.75 CTSB (0.44) CTSBCTRB1
SCHEMBL7421175 0.72 LTA4H (0.54) LTA4H
SCHEMBL18568243 0.70 ALPI (0.51) LTA4HANPEPRNPEPDNPEP
SCHEMBL5689533 0.70 CTSB (0.63) CTSBCTRB1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed