SCHEMBL6945960

SCHEMBL6945960

CC(C)C[C@@H](C(=O)NN(c1ccc(Br)cc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.51
P2RX3 P56373 1/20 0.31
APP P05067 1/20 0.31
MMP2 P08253 4/20 0.31
MMP9 P14780 4/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TGFBR1 P36897 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL6947352 0.96 ADAM17 (0.51) ADAM17P2RX3APPMMP2MMP9
SCHEMBL6940024 0.93 ADAM17 (0.48) ADAM17APPMMP2MMP9LMNA
SCHEMBL6944673 0.92 ADAM17 (0.46) ADAM17P2RX3
SCHEMBL6942385 0.90 ADAM17 (0.45) ADAM17P2RX3TGFBR1
SCHEMBL6943306 0.90 ADAM17 (0.45) ADAM17P2RX3MMP2TGFBR1
SCHEMBL6942441 0.89 ADAM17 (0.45) ADAM17P2RX3TGFBR1
SCHEMBL6945333 0.89 ADAM17 (0.55) ADAM17P2RX3APPMMP2MMP9
SCHEMBL6942217 0.89 ADAM17 (0.49) ADAM17P2RX3TGFBR1
SCHEMBL6940527 0.88 ADAM17 (0.46) ADAM17P2RX3APPMMP2MMP9
SCHEMBL6937788 0.88 ADAM17 (0.51) ADAM17P2RX3APPMMP2MMP9

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