SCHEMBL8582291

SCHEMBL8582291

CC(NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)NCc1ccccc1OOC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
GHSR Q92847 1/20 0.40
TPSAB1 Q15661 2/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSK P43235 1/20 0.38
CYP1A2 P05177 2/20 0.37
PSMB5 P28074 3/20 0.37
PSMB8 P28062 2/20 0.37
PSMB9 P28065 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
APC P25054 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL8583068 0.89 GHSR (0.43) SYKGHSRCTSKCYP1A2PSMB5
SCHEMBL8580708 0.88 GHSR (0.43) GHSRALDH1A1HPGDHSD17B10
SCHEMBL8613091 0.81 GHSR (0.40) SYKGHSRCTSKPSMB5MAPT
SCHEMBL8582293 0.76 SYK (0.44) SYKGHSRTPSAB1PLGPRSS1
SCHEMBL8581093 0.73 GHSR (0.40) SYKGHSRMAPT
SCHEMBL8581721 0.72 GHSR (0.48) GHSRLMNAMAPT
SCHEMBL8997593 0.71 ALDH1A1 (0.35) SYKCYP1A2PSMB5LMNAMAPT
SCHEMBL8997612 0.70 SYK (0.41) SYKTPSAB1PLGPRSS1CTSK
SCHEMBL30387033 0.70 SYK (0.63) SYKTPSAB1PLGPRSS1CTSK
SCHEMBL8580711 0.69 SYK (0.42) SYKCTSKCYP1A2PSMB5NTSR1

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-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed