SCHEMBL6370513

SCHEMBL6370513

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.63
CAPN1 P07384 2/20 0.57
CASP1 P29466 1/20 0.57
CTSB P07858 5/20 0.56
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
REN P00797 2/20 0.56
APC P25054 1/20 0.55
TACR1 P25103 2/20 0.55
ACE P12821 1/20 0.54

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
SCHEMBL1661924 0.93 CTSL (0.71) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL1663171 0.93 CTSL (0.71) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL6371162 0.91 CASP1 (0.61) CTSLCAPN1CASP1CTSBCTSS
SCHEMBL21786578 0.89 PTPN1 (0.66) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL10971243 0.89 CAPN1 (0.67) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL1662038 0.88 CTSL (0.64) CTSLCASP1CTSBCTSSCTSK
SCHEMBL1660344 0.88 CTSL (0.64) CTSLCASP1CTSBCTSSCTSK
SCHEMBL10968600 0.88 CTSL (0.61) CTSLCAPN1CASP1CTSBCTSS
SCHEMBL10972180 0.88 CTSL (0.61) CTSLCAPN1CASP1CTSBCTSS
SCHEMBL7204154 0.88 CAPN1 (0.67) CTSLCAPN1CASP1CTSBCTSS

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
US-6960559-B1 Neurite growth regulatory factors UNIVERSITY OF ZURICH (CH) 2005-11-01 US disclosed
US-5250414-A Metalloendoprotease cleavage of tetrapeptide ERZIEHUNGSDIREKTION OF THE CANTON ZURICH (CH) 1993-10-05 US disclosed
WO-1993000427-A2 NEURITE GROWTH REGULATORY FACTORS ERZIEHUNGSDIREKTION OF THE CANTON ZURICH (CH) 1993-01-07 WO disclosed