SCHEMBL7100583

SCHEMBL7100583

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(=O)(=O)CCCN)[C@H](CC=Cc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.60
PSMB5 P28074 1/20 0.35
MMP2 P08253 10/20 0.35
MMP3 P08254 7/20 0.35
MMP7 P09237 6/20 0.35
ECE1 P42892 1/20 0.34
MMP1 P03956 5/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
MMP14 P50281 2/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 1/20 0.34
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
FCER2 P06734 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL7104743 0.92 ADAM17 (0.58) ADAM17PSMB5MMP2MMP3MMP7
SCHEMBL7101859 0.91 ADAM17 (0.57) ADAM17PSMB5MMP2MMP3MMP7
SCHEMBL7104655 0.89 ADAM17 (0.75) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103556 0.87 ADAM17 (0.74) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7104724 0.84 ADAM17 (0.78) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7106114 0.82 ADAM17 (0.58) ADAM17PSMB5MMP2MMP13MMP14
SCHEMBL7103548 0.82 ADAM17 (0.64) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7103638 0.80 ADAM17 (0.74) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7104784 0.80 ADAM17 (0.63) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7100103 0.79 ADAM17 (0.71) 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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed