SCHEMBL7351502

SCHEMBL7351502

O=C(NCCCCC(C=C(F)S(=O)(=O)c1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.54
CTSB P07858 8/20 0.54
CTSS P25774 4/20 0.46
REN P00797 1/20 0.46
CTSK P43235 3/20 0.46
CTSH P09668 2/20 0.46
CTSC P53634 1/20 0.46
TACR2 P21452 4/20 0.45
TGM2 P21980 1/20 0.43

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
SCHEMBL7351491 1.00 CTSL (0.54) CTSLCTSBCTSSRENCTSK
SCHEMBL7351482 1.00 CTSL (0.54) CTSLCTSBCTSSRENCTSK
SCHEMBL7353053 0.88 CTSL (0.72) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7353049 0.88 CTSL (0.72) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8492550 0.88 CTSL (0.72) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7351499 0.85 DPP8 (0.45) CTSLCTSBRENTGM2
SCHEMBL7400246 0.85 CTSL (0.73) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7400251 0.85 CTSL (0.73) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7400248 0.85 CTSL (0.73) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7359183 0.85 CTSL (0.61) CTSLCTSBCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed