SCHEMBL9215416

SCHEMBL9215416

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
CTSS P25774 3/20 0.49
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
AKT1 P31749 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL23518261 1.00 SYK (0.52) SYKCTSSKMT2AATMMAPT
SCHEMBL29579283 0.93 MAPT (0.52) SYKCTSSKMT2AATMMAPT
SCHEMBL19836950 0.90 SYK (0.55) SYKCTSSKMT2AATMMAPT
SCHEMBL10626940 0.90 SYK (0.55) SYKCTSSKMT2AATMMAPT
SCHEMBL10308398 0.89 CA2 (0.53) SYKCTSSKMT2AATMMAPT
SCHEMBL23518454 0.89 SYK (0.50) SYKCTSSKMT2AATMMAPT
SCHEMBL9038435 0.87 CTSK (0.61) CTSSCTSKCTSLCTSB
SCHEMBL10448499 0.86 CTSS (0.60) SYKCTSSKMT2AMAPTCTSK
SCHEMBL30387033 0.86 SYK (0.63) SYKCTSSMAPTCTSKCTSL
SCHEMBL3955009 0.85 SYK (0.57) SYKKMT2AMAPTMEN1ALDH1A1

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
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed