SCHEMBL27475768

SCHEMBL27475768

CC(C)CC(CO)NC(=O)C(NS(=O)(=O)c1ccc(F)cc1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.56
MMP1 P03956 4/20 0.55
MMP2 P08253 4/20 0.55
MMP3 P08254 4/20 0.55
MMP7 P09237 4/20 0.55
MMP9 P14780 4/20 0.55
MMP13 P45452 4/20 0.55
ADAMTS4 O75173 2/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL3840645 1.00 CAPN1 (0.56) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL6976052 1.00 CAPN1 (0.56) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3913553 0.82 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL27615593 0.82 CAPN1 (0.56) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL3904669 0.82 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL1907361 0.82 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL6026500 0.82 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL7769978 0.82 ALOX5AP (0.44) CAPN1
SCHEMBL5363846 0.82 CAPN1 (0.66) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL27486757 0.82 ADAM17 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1163145-A Inhibiting agent for vascular formation SENJI SEIYAKU K K (JP) 1997-10-29 CN disclosed