SCHEMBL4730478

SCHEMBL4730478

O=C(O)CCSCc1csc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
GGPS1 O95749 1/20 0.40
PTPRF P10586 7/20 0.40
PTPN2 P17706 7/20 0.40
PTPN1 P18031 7/20 0.40
AKR1B1 P15121 1/20 0.39
PRNP P04156 1/20 0.39
RAB9A P51151 1/20 0.39
SHMT1 P34896 1/20 0.36
SHMT2 P34897 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 0.81 ALOX5 (0.49) GAAKDM4ESMN1; SMN2ALOX5GGPS1
SCHEMBL4859050 0.80 ALOX5 (0.48) ALOX5GGPS1
SCHEMBL14260809 0.79 PPARG (0.44) GGPS1SHMT1SHMT2
SCHEMBL4730467 0.79 PPARG (0.44) GGPS1SHMT1SHMT2
SCHEMBL4731059 0.77 PPARG (0.36) GAAKDM4EALOX5GGPS1SHMT1
SCHEMBL14260756 0.76 CCR2 (0.36) GAAKDM4EALOX5GGPS1PTPRF
SCHEMBL4459051 0.75 CYP2C19 (0.51) ALOX5GGPS1
SCHEMBL4728155 0.74 PTPRF (0.40) GAAALOX5GGPS1PTPRFPTPN2
SCHEMBL14260755 0.73 PPARG (0.47) GAAPTPN1PRNPRAB9A
SCHEMBL4856992 0.70 GGPS1 (0.54) GAAALOX5GGPS1RAB9AMEN1

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