SCHEMBL4728145

SCHEMBL4728145

CC(C)(C)OC(=O)NC(CSCc1csc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.47
PPARA Q07869 9/20 0.47
PPARD Q03181 2/20 0.45
PTPRB P23467 2/20 0.40
ICMT O60725 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP3A4 P08684 1/20 0.37
PRNP P04156 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
ACKR3 P25106 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
C3AR1 Q16581 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
SCHEMBL14260755 1.00 PPARG (0.47) PPARGPPARAPPARDPTPRBICMT
SCHEMBL4730467 0.95 PPARG (0.44) PPARGPPARAPPARDPTPRBICMT
SCHEMBL14260809 0.95 PPARG (0.44) PPARGPPARAPPARDPTPRBICMT
SCHEMBL4730121 0.88 P2RY12 (0.37) PPARGPPARAICMTPTPN1PRNP
SCHEMBL4731059 0.88 PPARG (0.36) PPARGPPARAPPARDPTPRBGAA
SCHEMBL4817129 0.86 PPARA (0.61) PPARGPPARAPPARDICMTPTPN1
SCHEMBL3863447 0.86 PPARA (0.61) PPARGPPARAPPARDICMTPTPN1
SCHEMBL13897433 0.85 PPARA (0.51) PPARGPPARAPPARDICMTPTPN1
SCHEMBL14260756 0.84 CCR2 (0.36) PPARGPPARAPTPRBICMTPTPN1
SCHEMBL13897395 0.84 PPARA (0.55) PPARGPPARAPPARDICMTPTPN1

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