SCHEMBL6944946

SCHEMBL6944946

CCCC(C[C@H]([C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)N1C(=O)c2ccc(C)cc2C1=O)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 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
SCHEMBL6943076 0.86 ADAM17 (0.39)
SCHEMBL6943244 0.86 TGFBR1 (0.35) TGFBR1
SCHEMBL6942423 0.85 TGFBR1 (0.33) TGFBR1
SCHEMBL6945779 0.85 TGFBR1 (0.33) TGFBR1
SCHEMBL8097973 0.81 P2RX3 (0.32) TGFBR1
SCHEMBL6983162 0.81 ALDH1A1 (0.32) TGFBR1
SCHEMBL6946755 0.80 TGFBR1 (0.32) TGFBR1
SCHEMBL7938335 0.79 TGFBR1 (0.33) TGFBR1
SCHEMBL6947105 0.79 P2RX3 (0.34) TGFBR1
SCHEMBL6983322 0.77 TGFBR1 (0.31) TGFBR1

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