SCHEMBL6945855

SCHEMBL6945855

CC(C)C[C@@H](C(=O)NN(c1cccc2ccccc12)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.48
P2RX3 P56373 1/20 0.37
TGFBR1 P36897 1/20 0.31

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
SCHEMBL6942217 0.92 ADAM17 (0.49) ADAM17P2RX3TGFBR1
SCHEMBL7937100 0.90 ADAM17 (0.48) ADAM17P2RX3TGFBR1
SCHEMBL6947352 0.90 ADAM17 (0.51) ADAM17P2RX3TGFBR1
SCHEMBL6945960 0.87 ADAM17 (0.51) ADAM17P2RX3TGFBR1
SCHEMBL6943197 0.87 ADAM17 (0.46) ADAM17P2RX3
SCHEMBL6937788 0.87 ADAM17 (0.51) ADAM17P2RX3TGFBR1
SCHEMBL6943375 0.87 ADAM17 (0.53) ADAM17P2RX3TGFBR1
SCHEMBL6946888 0.87 ADAM17 (0.48) ADAM17P2RX3TGFBR1
SCHEMBL6943006 0.86 ADAM17 (0.46) ADAM17P2RX3TGFBR1
SCHEMBL6940024 0.86 ADAM17 (0.48) 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