SCHEMBL7790153

SCHEMBL7790153

O=C(CCCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1)Cc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 1/20 0.53
CHRNA1 P02708 6/20 0.52
CHRNG P07510 6/20 0.52
CHRNB1 P11230 6/20 0.52
CHRND Q07001 6/20 0.52
CAPN1 P07384 1/20 0.50
CAPN2 P17655 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
TACR1 P25103 2/20 0.48
SIRT5 Q9NXA8 2/20 0.48

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
SCHEMBL7798566 0.82 SYK (0.55) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL9113871 0.81 CTSL (0.73) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL17643540 0.78 CTSL (0.76) CTSLCTSBCTSSCTSKTACR1
SCHEMBL22599593 0.77 CTSL (0.70) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL3615384 0.76 CTSL (0.65) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL3615382 0.76 CTSL (0.65) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL14598315 0.76 CTSS (0.64) CTSLCTSBCTSSCTSK
SCHEMBL7799692 0.75 HTT (0.56) CAPN1CAPN2
SCHEMBL7764124 0.75 CTSL (0.71) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8387597 0.75 CTSL (0.71) CTSLCTSBCTSSCTSKTACR1

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
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed