SCHEMBL7358371

SCHEMBL7358371

CC(=O)NC(C(=O)NC(C(=O)NC(/C=C/Cc1ccccc1)Cc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CTRC Q99895 1/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
PGC P20142 1/20 0.43
CASP3 P42574 1/20 0.42
CTRB1 P17538 4/20 0.42
LMNA P02545 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
SCHEMBL7358373 1.00 CTSB (0.44) CTSBSMN1; SMN2CTRCCTSDCTSE
SCHEMBL7361635 0.85 CTSB (0.59) CTSBSMN1; SMN2CTRCCTRB1
SCHEMBL29112224 0.78 MME (0.58)
SCHEMBL7270319 0.77 CTSS (0.52) CTSDCTSEPGCCTRB1
SCHEMBL7279589 0.76 CA2 (0.56) CTSDCTSEPGC
SCHEMBL7362372 0.76 CYP3A4 (0.66) CTSDCTSEPGCCTRB1LMNA
SCHEMBL6248305 0.76 CTSB (0.55) CTSBSMN1; SMN2CTRCCTSD
SCHEMBL7358377 0.75 CTSB (0.39) CTSBCTRB1
SCHEMBL20204722 0.75 CTSB (0.62) CTSBSMN1; SMN2
SCHEMBL7364425 0.73 CTSD (0.56) CTSDCTSEPGC

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