SCHEMBL6941737

SCHEMBL6941737

CC(C)C[C@@H](C(=O)NN(CCn1ccnc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.52
REN P00797 4/20 0.33
TGFBR1 P36897 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AGTR2 P50052 1/20 0.31
APP P05067 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 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
SCHEMBL6943249 0.93 ADAM17 (0.53) ADAM17TGFBR1APP
SCHEMBL6945556 0.88 ADAM17 (0.58) ADAM17TGFBR1APP
SCHEMBL6946725 0.88 ADAM17 (0.56) ADAM17TGFBR1APP
SCHEMBL6942461 0.88 ADAM17 (0.56) ADAM17TGFBR1APP
SCHEMBL6943880 0.88 ADAM17 (0.55) ADAM17TGFBR1APP
SCHEMBL6945793 0.88 ADAM17 (0.55) ADAM17TGFBR1APP
SCHEMBL7938339 0.87 ADAM17 (0.52) ADAM17APP
SCHEMBL6944949 0.87 ADAM17 (0.52) ADAM17TGFBR1ALDH1A1APP
SCHEMBL6941619 0.87 ADAM17 (0.52) ADAM17TGFBR1APP
SCHEMBL6942429 0.87 ADAM17 (0.55) ADAM17TGFBR1APP

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