SCHEMBL6945376

SCHEMBL6945376

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.49
TGFBR1 P36897 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
P2RX3 P56373 1/20 0.34
APP P05067 1/20 0.32
CTSC P53634 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CASP1 P29466 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
SCHEMBL6945370 1.00 ADAM17 (0.49) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6946853 0.94 ADAM17 (0.50) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6986307 0.93 ADAM17 (0.47) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6945800 0.93 ADAM17 (0.47) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6988787 0.93 ADAM17 (0.47) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6944451 0.93 ADAM17 (0.47) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6984060 0.92 ADAM17 (0.47) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6987312 0.91 ADAM17 (0.46) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6985812 0.91 ADAM17 (0.46) ADAM17TGFBR1MMP2MMP9ANPEP
SCHEMBL6982384 0.91 ADAM17 (0.47) ADAM17TGFBR1MMP2MMP9ANPEP

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