SCHEMBL3477448

SCHEMBL3477448

CNC(=O)C(Cc1ccc(N)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.62
CTSK P43235 5/20 0.62
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
REN P00797 2/20 0.48
MMP1 P03956 3/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PSMB10 P40306 1/20 0.47
MME P08473 1/20 0.46
BCL2 P10415 1/20 0.45

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
SCHEMBL7273440 0.92 CTSS (0.72) CTSSCTSKCTSLCTSBMMP1
SCHEMBL5188769 0.92 CTSS (0.72) CTSSCTSKCTSLCTSBMMP1
SCHEMBL5188418 0.92 CTSS (0.72) CTSSCTSKCTSLCTSBMMP1
SCHEMBL3478075 0.85 PTPRB (0.58) CTSSCTSK
SCHEMBL3477645 0.85 CTSS (0.58) CTSSCTSKCTSLCTSBMMP1
SCHEMBL13224680 0.85 PTPRB (0.58) CTSSCTSK
SCHEMBL15910014 0.85 KLK5 (0.55) CTSSCTSKCTSLCTSBREN
SCHEMBL28630396 0.84 CTSS (0.72) CTSSCTSKCTSLCTSBREN
SCHEMBL22191069 0.83 CTSS (0.67) CTSSCTSKCTSLCTSBREN
SCHEMBL22201737 0.83 CTSS (0.67) CTSSCTSKCTSLCTSBREN

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-7769575-B2 Three dimensional coordinates of HPTPbeta Warner Chilcott, LLC (US) 2010-08-03 US disclosed
US-20100030487-A1 THREE DIMENSIONAL COORDINATES OF HPTPbeta Aerpio Pharmaceuticals, Inc. 2010-02-04 US disclosed
US-20040077065-A1 Three dimensional coordinates of HPTPbeta THE PROCTER & GAMBLE COMPANY 2004-04-22 US disclosed