SCHEMBL7378642

SCHEMBL7378642

O=CC(Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.74
CTRB1 P17538 5/20 0.58
CTRC Q99895 2/20 0.54
HPGD P15428 1/20 0.54
ACE P12821 1/20 0.52
CTSB P07858 1/20 0.52

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
SCHEMBL40781 1.00 CAPN1 (0.74) CAPN1CTRB1CTRCHPGDACE
SCHEMBL7789383 0.94 CAPN1 (0.75) CAPN1CTRB1CTRC
SCHEMBL7374424 0.94 CAPN1 (0.75) CAPN1CTRB1CTRC
SCHEMBL7451101 0.91 CAPN1 (0.63) CAPN1ACECTSB
SCHEMBL24862936 0.91 CAPN1 (0.63) CAPN1CTRB1CTRCCTSB
SCHEMBL7377358 0.87 CAPN1 (0.70) CAPN1CTRB1
SCHEMBL7786975 0.87 CAPN1 (0.70) CAPN1CTRB1
SCHEMBL20095309 0.86 CTRC (0.71) CAPN1CTRC
SCHEMBL22098385 0.86 CAPN1 (0.61) CAPN1CTRCCTSB
SCHEMBL7796444 0.85 CTRB1 (0.56) CAPN1CTRB1CTRCHPGDACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
EP-0944584-A1 BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1998023581-A1 BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed
EP-0609689-B1 Process for preparing optically active 2-aminopropanal NIPPON KAYAKU KK (JP) 1997-06-04 EP disclosed
US-5399763-A Process for preparing optically active 2-aminopropanal NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
EP-0609689-A1 Process for preparing optically active 2-aminopropanal NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-08-10 EP disclosed