SCHEMBL4729410

SCHEMBL4729410

OCc1csc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
GGPS1 O95749 1/20 0.45
PTPRF P10586 6/20 0.40
PTPN2 P17706 6/20 0.40
PTPN1 P18031 6/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL4730478 0.81 GAA (0.41) ALOX5GGPS1PTPRFPTPN2PTPN1
SCHEMBL4728155 0.77 PTPRF (0.40) ALOX5GGPS1PTPRFPTPN2PTPN1
SCHEMBL12996512 0.77 ALOX5 (0.71) ALOX5GGPS1PRMT5WDR77SMN1; SMN2
SCHEMBL15855421 0.75 ALOX5 (0.69) ALOX5GGPS1PRMT5WDR77SMN1; SMN2
SCHEMBL12996525 0.75 ALOX5 (0.69) ALOX5GGPS1PRMT5WDR77SMN1; SMN2
SCHEMBL13986662 0.75 GGPS1 (0.61) ALOX5GGPS1PRMT5WDR77PTGES2
SCHEMBL431478 0.74 ALOX5 (0.67) ALOX5GGPS1PRMT5WDR77SMN1; SMN2
SCHEMBL4728156 0.74 ALOX5 (0.50) ALOX5GGPS1PTPRFPTPN2PTPN1
SCHEMBL16405875 0.73 ALOX5 (0.58) ALOX5GGPS1PRMT5WDR77GAA
SCHEMBL14260764 0.73 ALOX5 (0.49) ALOX5GGPS1PTPRFPTPN2PTPN1

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
WO-2008033934-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID DERIVATIVES AS PTB-1B INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed
WO-2008033934-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID DERIVATIVES AS PTB-1B INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed