SCHEMBL6940169

SCHEMBL6940169

CC(=O)N(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.45
TGFBR1 P36897 1/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
MGLL Q99685 1/20 0.32
P2RX3 P56373 1/20 0.32
APP P05067 2/20 0.32
MMP2 P08253 4/20 0.32
MMP9 P14780 3/20 0.32
ANPEP P15144 2/20 0.32
LTA4H P09960 1/20 0.32
LAP3 P28838 1/20 0.32
NPEPPS P55786 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CTSC P53634 1/20 0.31
CCNA2 P20248 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
SCHEMBL6983650 0.92 ADAM17 (0.44) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6981370 0.92 ADAM17 (0.44) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6942910 0.91 ADAM17 (0.43) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6941727 0.90 ADAM17 (0.42) ADAM17TGFBR1MGLLP2RX3MMP2
SCHEMBL6947352 0.88 ADAM17 (0.51) ADAM17TGFBR1CASP1CASP3CASP7
SCHEMBL7955132 0.87 ADAM17 (0.44) ADAM17TGFBR1CASP1CASP3CASP7
SCHEMBL7835552 0.87 ADAM17 (0.44) ADAM17TGFBR1CASP1CASP3CASP7
SCHEMBL6945370 0.87 ADAM17 (0.49) ADAM17TGFBR1CASP1CASP3CASP7
SCHEMBL6945376 0.87 ADAM17 (0.49) ADAM17TGFBR1CASP1CASP3CASP7
SCHEMBL6940527 0.86 ADAM17 (0.46) ADAM17TGFBR1P2RX3APPMMP2

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