SCHEMBL9113871

SCHEMBL9113871

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

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.73
CTSK P43235 2/20 0.73
CTSB P07858 2/20 0.73
CTSS P25774 2/20 0.73
TACR1 P25103 2/20 0.67
CAPN1 P07384 1/20 0.60
CAPN2 P17655 1/20 0.60
NMBR P28336 1/20 0.58

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
SCHEMBL17643540 0.94 CTSL (0.76) CTSLCTSKCTSBCTSSTACR1
SCHEMBL22599593 0.92 CTSL (0.70) CTSLCTSKCTSBCTSSTACR1
SCHEMBL3615384 0.91 CTSL (0.65) CTSLCTSKCTSBCTSSTACR1
SCHEMBL3615382 0.91 CTSL (0.65) CTSLCTSKCTSBCTSSTACR1
SCHEMBL8387597 0.91 CTSL (0.71) CTSLCTSKCTSBCTSSTACR1
SCHEMBL13073498 0.91 CTSL (0.71) CTSLCTSKCTSBCTSSTACR1
SCHEMBL7764124 0.91 CTSL (0.71) CTSLCTSKCTSBCTSSTACR1
SCHEMBL16601896 0.90 CTSL (0.67) CTSLCTSKCTSBCTSS
SCHEMBL10802560 0.90 CTSL (0.73) CTSLCTSKCTSBCTSSTACR1
SCHEMBL14598350 0.89 CTSL (0.66) CTSLCTSKCTSBCTSSTACR1

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-5428180-A Oxidation of alkenes to epoxides THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-06-27 US disclosed
US-5126464-A Catalytic oxidation of alkenes THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-06-30 US disclosed
US-4987227-A EPOXIDATION CATALYSTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1991-01-22 US disclosed