SCHEMBL6942423

SCHEMBL6942423

CCCC(C[C@@H](c1ccc(C)cc1)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
P2RX3 P56373 1/20 0.33
PPARG P37231 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
SCHEMBL6945779 0.90 TGFBR1 (0.33) TGFBR1P2RX3
SCHEMBL8097973 0.89 P2RX3 (0.32) TGFBR1P2RX3
SCHEMBL6983333 0.86 TGFBR1 (0.33) TGFBR1P2RX3
SCHEMBL6943244 0.86 TGFBR1 (0.35) TGFBR1P2RX3
SCHEMBL6944946 0.85 TGFBR1 (0.32) TGFBR1
SCHEMBL6946755 0.85 TGFBR1 (0.32) TGFBR1P2RX3
SCHEMBL6942646 0.85 ADAM17 (0.40) PPARG
SCHEMBL7938335 0.84 TGFBR1 (0.33) TGFBR1P2RX3
SCHEMBL6947105 0.83 P2RX3 (0.34) TGFBR1P2RX3
SCHEMBL6948116 0.81 TGFBR1 (0.32) TGFBR1P2RX3

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