SCHEMBL6944604

SCHEMBL6944604

CCC[C@@](C/C(=C(/C)CC)[C@H](CC=Cc1ccccc1)C(=O)NO)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
CTSC P53634 1/20 0.35
MASP2 O00187 1/20 0.32
MMP13 P45452 2/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
HTR2A P28223 3/20 0.31
SLC6A2 P23975 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL6942510 0.83 ADAM17 (0.36) ADAM17CTSCMASP2MMP13MMP1
SCHEMBL7812038 0.81 CTSC (0.36) ADAM17CTSCMASP2GRIK1GRIK2
SCHEMBL6942160 0.78 ADAM17 (0.37) ADAM17CTSCMASP2MMP13MMP1
SCHEMBL6989494 0.77 ADAM17 (0.31) ADAM17CTSCGRIK1GRIK2
SCHEMBL6940773 0.77 ADAM17 (0.40) ADAM17CTSCMASP2MMP13MMP1
SCHEMBL6942646 0.75 ADAM17 (0.40) ADAM17CTSCMASP2MMP13MMP1
SCHEMBL6939564 0.74 ADAM17 (0.40) ADAM17CTSCMASP2MMP13GRIK1
SCHEMBL6944601 0.73 ADAM17 (0.32) ADAM17
SCHEMBL6945625 0.72 ADAM17 (0.33) ADAM17CTSCMASP2
SCHEMBL6939999 0.72 ADAM17 (0.33) ADAM17CTSCMASP2

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