SCHEMBL10445581

SCHEMBL10445581

O=C(O)CC(=O)NCC(F)(F)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
ACE P12821 3/20 0.49
CTRB1 P17538 5/20 0.46
PTPN1 P18031 1/20 0.45
CTSB P07858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL10445431 0.87 ACE (0.53) CTSLCTSSCTSKACECTRB1
SCHEMBL8041086 0.84 CTSL (0.52) CTSLCTSSCTSKACECTRB1
SCHEMBL5711379 0.81 CTSL (0.57) CTSLCTSSCTSKACECTRB1
SCHEMBL5711376 0.81 CTSL (0.57) CTSLCTSSCTSKACECTRB1
SCHEMBL8053336 0.78 CTSL (0.51) CTSLCTSSCTSKACECTRB1
SCHEMBL6348412 0.76 CTSL (0.52) CTSLCTSSCTSKACECTRB1
SCHEMBL6348415 0.76 CTSL (0.52) CTSLCTSSCTSKACECTRB1
SCHEMBL10445830 0.75 USP30 (0.44) CTSLCTSSCTSKKMT2A
SCHEMBL528464 0.73 ACE (0.76) CTSLCTSSCTSKACECTRB1
SCHEMBL111236 0.73 ACE (0.76) CTSLCTSSCTSKACECTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed