SCHEMBL13845307

SCHEMBL13845307

CCOC(C)Oc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.43
AGXT P21549 2/20 0.43
NPC1 O15118 1/20 0.43
PTPN7 P35236 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL4057110 0.93 LMNA (0.44) PPARGPPARACYP1A2MAPK1TDP1
SCHEMBL8674823 0.87 CYP1A2 (0.48) PPARGPPARACYP1A2CYP2A6MAPK1
SCHEMBL8675364 0.87 PPARG (0.51) PPARGPPARACYP1A2CYP2A6MAPK1
SCHEMBL21830454 0.83 AKR1C3 (0.39) PPARGPPARAMAPK1TDP1GAA
SCHEMBL4063868 0.83 LMNA (0.48) PPARGPPARACYP1A2CYP2A6TDP1
SCHEMBL13923340 0.81 ABCB11 (0.44) CYP1A2TDP1GAAALOX5
SCHEMBL21830394 0.81 PPARG (0.35) PPARGPPARAMAPK1TDP1GAA
SCHEMBL9770329 0.81 CYP2A6 (0.54) PPARGPPARACYP1A2CYP2A6MAPK1
SCHEMBL20885297 0.81 LMNA (0.44) MAPK1TDP1L3MBTL1KDM4E
SCHEMBL3852488 0.80 LMNA (0.52) PPARATDP1L3MBTL1

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed