SCHEMBL6943076

SCHEMBL6943076

CCCC(C[C@H]([C@H](C/C=C/c1ccccc1)C(=O)NO)N1C(=O)c2ccc(C)cc2C1=O)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.39
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 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
SCHEMBL6944946 0.86 TGFBR1 (0.32)
SCHEMBL6944612 0.82 ADAM17 (0.38) ADAM17
SCHEMBL6942646 0.82 ADAM17 (0.40) ADAM17GRIK1GRIK2
SCHEMBL6939564 0.81 ADAM17 (0.40) ADAM17GRIK1GRIK2
SCHEMBL6944954 0.78 ADAM17 (0.37) ADAM17
SCHEMBL8111670 0.77 ADAM17 (0.38) ADAM17
SCHEMBL6982348 0.77 MMP1 (0.38) ADAM17GRIK1GRIK2
SCHEMBL6940773 0.76 ADAM17 (0.40) ADAM17GRIK1GRIK2
SCHEMBL6942510 0.74 ADAM17 (0.36) ADAM17GRIK1GRIK2
SCHEMBL6942591 0.73 ADAM17 (0.38) 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 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