SCHEMBL28065856

SCHEMBL28065856

O=C(O)C(SCc1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.59
NPSR1 Q6W5P4 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13491150 0.85 EPHX1 (0.56) EPHX1NPSR1PPARGPPARAATM
SCHEMBL29279840 0.78 EPHX1 (0.45) EPHX1CYP2D6SRCLMNAMAPK1
SCHEMBL6954426 0.78 PPARG (0.49) EPHX1PPARGPPARAATML3MBTL1
SCHEMBL3294142 0.76 PPARG (0.47) EPHX1NPSR1PPARGPPARAATM
SCHEMBL11852807 0.76 EPHX1 (0.47) EPHX1NPSR1CYP1A2CYP2D6SRC
SCHEMBL11549480 0.76 CYP2D6 (0.42) EPHX1CYP2D6SRCLMNAMAPK1
SCHEMBL27862443 0.75 PPARG (0.48) EPHX1NPSR1PPARGPPARAATM
SCHEMBL11000515 0.75 EPHX1 (0.50) EPHX1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL14506219 0.74 SRC (0.54) EPHX1L3MBTL1CYP2D6SRCLMNA
SCHEMBL4828917 0.74 SRC (0.54) L3MBTL1CYP2D6SRCLMNAMAPK1

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
CN-102566269-B Coloured composition, colour filter and display element JSR株式会社 2016-06-15 CN disclosed
CN-102566269-A Color component, color filter and display element JSR K K 2012-07-11 CN disclosed