SCHEMBL7204154

SCHEMBL7204154

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.67
CTSL P07711 5/20 0.62
CTSB P07858 4/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
TACR1 P25103 2/20 0.60
MME P08473 1/20 0.58
ECE1 P42892 1/20 0.58
CASP1 P29466 1/20 0.56

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
SCHEMBL13355677 1.00 CAPN1 (0.67) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL5484209 0.95 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL10967811 0.95 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL9088735 0.95 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7281206 0.95 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL31397615 0.95 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL5491506 0.94 CASP1 (0.65) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL6371162 0.92 CASP1 (0.61) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL29941426 0.92 CTSL (0.62) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL10971243 0.92 CAPN1 (0.67) CAPN1CTSLCTSBCTSSCTSK

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-0644772-B1 OPIOID PEPTIDES SOD CONSEILS RECH APPLIC (FR) 2003-04-02 EP disclosed
US-5663295-A ANALGESIC, ANTIDIARRHEA BIOMEASURE INC. (US) 1997-09-02 US disclosed
US-4496540-A Therapeutic compounds BIOMEASURE, INC. (US) 1985-01-29 US disclosed