SCHEMBL6941953

SCHEMBL6941953

CCCC(CC(C)C)(C(=O)NN)C(=O)[C@@H](c1ccc(C)cc1)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.39
CTSC P53634 1/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
TNF P01375 1/20 0.33
MMP3 P08254 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
HTR2A P28223 3/20 0.32
MASP2 O00187 1/20 0.31
EGFR P00533 1/20 0.31
MMP9 P14780 1/20 0.31
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL6987205 0.87 ADAM17 (0.37) ADAM17CTSC
SCHEMBL7812777 0.86 ADAM17 (0.36) ADAM17CTSC
Hydrochloric Acid SCHEMBL6985210 0.86 ADAM17 (0.36) ADAM17CTSCHTR2AMASP2
Hydrochloric Acid SCHEMBL7805704 0.86 ADAM17 (0.36) ADAM17CTSCHTR2AMASP2
SCHEMBL6983517 0.85 ADAM17 (0.37) ADAM17CTSC
SCHEMBL6986074 0.82 ADAM17 (0.34) ADAM17
SCHEMBL7812945 0.82 ADAM17 (0.34) ADAM17MMP1MMP9
SCHEMBL6982348 0.82 MMP1 (0.38) ADAM17MMP1MMP2MMP3GRIK1
SCHEMBL6984201 0.82 ADAM17 (0.37) ADAM17CTSC
SCHEMBL6985245 0.81 ADAM17 (0.42) ADAM17

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 4 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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed