SCHEMBL7425243

SCHEMBL7425243

CCN(CC)[C@@H](CNC(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
ALOX5 P09917 1/20 0.51
BCL2 P10415 1/20 0.48
MAOB P27338 4/20 0.48
PTPN1 P18031 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.46
PSMB1 P20618 4/20 0.45
PSMB10 P40306 4/20 0.45
PSMB9 P28065 3/20 0.45
PSMB5 P28074 3/20 0.45
PSMB2 P49721 3/20 0.45
PSMB8 P28062 2/20 0.45
LTA4H P09960 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL20425275 0.84 SYK (0.53) SYKBCL2MAOBPTPN1HDAC1
SCHEMBL6163742 0.80 PTPN1 (0.57) SYKBCL2MAOBPTPN1HDAC1
SCHEMBL7428462 0.78 SYK (0.50) SYKALOX5L3MBTL1HDAC1LTA4H
SCHEMBL596575 0.78 HDAC1 (0.67) MAOBHDAC1
SCHEMBL1553476 0.78 SYK (0.54) SYKALOX5BCL2MAOBHDAC1
SCHEMBL271479 0.77 CYP3A4 (0.56) SYKALOX5BCL2MAOBPTPN1
SCHEMBL271480 0.77 CYP3A4 (0.56) SYKALOX5BCL2MAOBPTPN1
SCHEMBL7425238 0.77 CYP3A4 (0.54) SYKALOX5BCL2MAOBPTPN1
SCHEMBL7425236 0.77 CYP3A4 (0.54) SYKALOX5BCL2MAOBPTPN1
SCHEMBL30771411 0.77 SYK (0.53) SYKALOX5BCL2MAOBPTPN1

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
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed