SCHEMBL6945889

SCHEMBL6945889

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CC=C1CCOCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.42

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
SCHEMBL6947921 0.94 ADAM17 (0.42) ADAM17
SCHEMBL6941514 0.86 ADAM17 (0.43) ADAM17
SCHEMBL6944677 0.85 ADAM17 (0.40) ADAM17
SCHEMBL6946922 0.84 ADAM17 (0.37) ADAM17
SCHEMBL6943561 0.82 ADAM17 (0.67) ADAM17
SCHEMBL6939548 0.82 ADAM17 (0.60) ADAM17
SCHEMBL6945603 0.82 ADAM17 (0.38) ADAM17
SCHEMBL7928825 0.81 ADAM17 (0.37) ADAM17
SCHEMBL6947666 0.81 ADAM17 (0.37) ADAM17
SCHEMBL6940361 0.80 ADAM17 (0.37) 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