SCHEMBL4728155

SCHEMBL4728155

O=C(O)c1cncc(OCc2csc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 6/20 0.40
PTPN2 P17706 6/20 0.40
PTPN1 P18031 6/20 0.40
GAA P10253 2/20 0.39
PPARA Q07869 2/20 0.39
F2RL3 Q96RI0 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GGPS1 O95749 1/20 0.37
ALOX5 P09917 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PPARG P37231 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL4729410 0.77 ALOX5 (0.49) PTPRFPTPN2PTPN1GAAGGPS1
SCHEMBL4730478 0.74 GAA (0.41) PTPRFPTPN2PTPN1GAARAB9A
SCHEMBL9721952 0.73 NR4A2 (0.61) GAAPPARAMAPTRAB9APPARG
SCHEMBL16395418 0.67 ALOX5 (0.58) MAPTGGPS1ALOX5PRMT5WDR77
SCHEMBL16405834 0.67 ALOX5 (0.58) MAPTGGPS1ALOX5PRMT5WDR77
SCHEMBL16405924 0.67 ALOX5 (0.58) MAPTGGPS1ALOX5PRMT5WDR77
SCHEMBL4728156 0.67 ALOX5 (0.50) PTPRFPTPN2PTPN1MAPTGGPS1
SCHEMBL21168062 0.66 ALOX5 (0.57) MAPTGGPS1ALOX5PRMT5WDR77
SCHEMBL21563826 0.66 ALOX5 (0.57) MAPTGGPS1ALOX5PRMT5WDR77
SCHEMBL17232186 0.66 ALOX5 (0.57) MAPTGGPS1ALOX5PRMT5WDR77

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