SCHEMBL6937858

SCHEMBL6937858

CC(C)C[C@@H](C(=O)NN1CCCS1)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.54
APP P05067 2/20 0.41
MMP3 P08254 14/20 0.41
MMP2 P08253 14/20 0.41
MMP7 P09237 12/20 0.41
MMP1 P03956 12/20 0.40
MMP8 P22894 3/20 0.40
MMP9 P14780 3/20 0.40
MMP14 P50281 3/20 0.40
MMP13 P45452 3/20 0.40
MMP12 P39900 1/20 0.40
FCER2 P06734 1/20 0.36
GAA P10253 1/20 0.36
MMP10 P09238 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL6937855 1.00 ADAM17 (0.54) ADAM17APPMMP3MMP2MMP7
SCHEMBL7928771 1.00 ADAM17 (0.54) ADAM17APPMMP3MMP2MMP7
SCHEMBL6937866 1.00 ADAM17 (0.54) ADAM17APPMMP3MMP2MMP7
SCHEMBL6937862 1.00 ADAM17 (0.54) ADAM17APPMMP3MMP2MMP7
SCHEMBL6940345 0.97 ADAM17 (0.53) ADAM17APPMMP3MMP2MMP7
SCHEMBL6940355 0.97 ADAM17 (0.53) ADAM17APPMMP3MMP2MMP7
SCHEMBL6940351 0.97 ADAM17 (0.53) ADAM17APPMMP3MMP2MMP7
SCHEMBL6940358 0.97 ADAM17 (0.53) ADAM17APPMMP3MMP2MMP7
SCHEMBL6941624 0.88 ADAM17 (0.43) ADAM17APPMMP2MMP9GAA
SCHEMBL6941626 0.88 ADAM17 (0.43) ADAM17APPMMP2MMP9GAA

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