SCHEMBL27615593

SCHEMBL27615593

CC(C)C[C@@H]([C]=O)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.56
MMP1 P03956 5/20 0.54
MMP2 P08253 5/20 0.54
MMP3 P08254 5/20 0.54
MMP7 P09237 5/20 0.54
MMP9 P14780 5/20 0.54
MMP13 P45452 5/20 0.54
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
ADAMTS4 O75173 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CTSB P07858 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
SCHEMBL6976052 0.82 CAPN1 (0.56) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3840645 0.82 CAPN1 (0.56) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL27475768 0.82 CAPN1 (0.56) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3904669 0.81 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL6026500 0.81 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL1907361 0.81 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL5363846 0.81 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3913553 0.81 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3906288 0.77 MMP1 (0.60) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3840253 0.74 CAPN1 (0.51) CAPN1MMP1MMP2MMP3MMP7

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
CN-100360117-C Pharmaceutical composition with improved dissolution TRANSFORM PHARMACEUTICALS INC (US) 2008-01-09 CN disclosed
CN-1668283-A Pharmaceutical composition with improved dissolution TRANSFORM PHARMACEUTICALS INC (US) 2005-09-14 CN disclosed