SCHEMBL7937743

SCHEMBL7937743

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)OC1CCCCO1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.65
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
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MGLL Q99685 1/20 0.32
PSMB5 P28074 1/20 0.31
SLC6A3 Q01959 2/20 0.31
APP P05067 1/20 0.30
POLB P06746 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
SCHEMBL6943561 0.90 ADAM17 (0.67) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6942119 0.89 ADAM17 (0.50) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6947169 0.89 ADAM17 (0.51) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL7928798 0.86 ADAM17 (0.46) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6947403 0.86 ADAM17 (0.45) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6945816 0.84 ADAM17 (0.59) ADAM17
SCHEMBL6948118 0.84 ADAM17 (0.59) ADAM17PSMB5APP
SCHEMBL6942715 0.84 ADAM17 (0.59) ADAM17
SCHEMBL6945556 0.84 ADAM17 (0.58) ADAM17MMP2MMP9ANPEPLTA4H
SCHEMBL6947109 0.84 ADAM17 (0.57) ADAM17MMP2MMP9ANPEPLTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed