SCHEMBL6944601

SCHEMBL6944601

CCCC(CC(=O)[N+]1(C)CCO[C@H]([C@H](C/C=C/c2ccccc2)C(=O)NO)C1)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.32

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
SCHEMBL6944379 0.89
SCHEMBL6945625 0.75 ADAM17 (0.33) ADAM17
SCHEMBL6942591 0.74 ADAM17 (0.38) ADAM17
SCHEMBL6944604 0.73 ADAM17 (0.36) ADAM17
SCHEMBL6942510 0.72 ADAM17 (0.36) ADAM17
SCHEMBL6942160 0.71 ADAM17 (0.37) ADAM17
SCHEMBL6947105 0.69 P2RX3 (0.34)
SCHEMBL7938335 0.68 TGFBR1 (0.33)
SCHEMBL6942646 0.68 ADAM17 (0.40) ADAM17
SCHEMBL6940773 0.68 ADAM17 (0.40) 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