SCHEMBL6944738

SCHEMBL6944738

COc1ccc(C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)NN(c2ccccc2)S(C)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.64
TRPM8 Q7Z2W7 4/20 0.43
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
MMP2 P08253 10/20 0.39
MMP1 P03956 7/20 0.39
MMP3 P08254 6/20 0.39
MMP13 P45452 4/20 0.39
MMP8 P22894 3/20 0.39
MMP9 P14780 7/20 0.39
MMP7 P09237 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6940945 0.92 ADAM17 (0.75) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6940838 0.90 ADAM17 (0.63) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6945656 0.87 ADAM17 (0.71) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6940122 0.87 ADAM17 (0.63) ADAM17GRIK1GRIK2MMP2MMP1
SCHEMBL6945120 0.84 ADAM17 (0.73) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6943011 0.84 ADAM17 (0.65) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6942295 0.83 ADAM17 (0.66) ADAM17GRIK1GRIK2MMP2MMP1
SCHEMBL6940125 0.82 ADAM17 (0.67) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6945858 0.82 ADAM17 (0.57) ADAM17MMP2MMP1MMP3MMP13
SCHEMBL6940910 0.81 ADAM17 (0.67) ADAM17MMP2MMP1MMP3MMP13

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