SCHEMBL7359030

SCHEMBL7359030

NC(=O)c1ccccc1C[CH]C(=O)NC(/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.59
CTSB P07858 6/20 0.59
CTSK P43235 3/20 0.57
CTSS P25774 2/20 0.57
CTSH P09668 2/20 0.57
CTSC P53634 2/20 0.57

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
SCHEMBL4994648 0.81 CTSB (0.61) CTSLCTSBCTSKCTSSCTSH
SCHEMBL4447641 0.80 CTSB (0.52) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7856906 0.76 CTSB (0.78) CTSLCTSBCTSKCTSSCTSH
SCHEMBL9889135 0.76 CTSB (0.82) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7359034 0.76 CTSB (0.82) CTSLCTSBCTSKCTSSCTSH
SCHEMBL4994654 0.72 CTSB (0.79) CTSLCTSBCTSKCTSSCTSH
SCHEMBL14861102 0.72 ALDH1A1 (0.51)
SCHEMBL4318866 0.72 CAPN1 (0.42)
SCHEMBL8127874 0.72 CTSB (0.62) CTSLCTSBCTSKCTSSCTSH
SCHEMBL9891652 0.71 CTSL (0.73) CTSLCTSBCTSKCTSSCTSH

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 1 patent. 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 claimed