SCHEMBL6942801

SCHEMBL6942801

CC(C)C[C@@H](C(=O)NN(c1ccccc1)S(=O)(=O)CC(F)(F)F)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.64
MMP2 P08253 15/20 0.39
MMP3 P08254 12/20 0.39
MMP7 P09237 11/20 0.39
MMP1 P03956 14/20 0.38
MMP8 P22894 5/20 0.38
MMP9 P14780 4/20 0.38
MMP13 P45452 4/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
FCER2 P06734 2/20 0.35

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
SCHEMBL6940910 0.88 ADAM17 (0.67) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6940945 0.88 ADAM17 (0.75) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6940125 0.86 ADAM17 (0.67) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945656 0.83 ADAM17 (0.71) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942210 0.83 ADAM17 (0.45) ADAM17
SCHEMBL6943011 0.80 ADAM17 (0.65) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6944738 0.80 ADAM17 (0.64) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945780 0.79 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943184 0.79 ADAM17 (0.66) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6941584 0.79 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed