SCHEMBL431265

SCHEMBL431265

CC1(C)c2cc(-c3ccc(CO)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)ccc3-4)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.52
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ALOX5 P09917 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ERN1 O75460 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SGK1 O00141 1/20 0.37
PTGER3 P43115 1/20 0.37
GSTP1 P09211 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL429096 0.94 PDK2 (0.46) PDK2ESR1ESR2LPLLIPG
SCHEMBL430248 0.94 PDK2 (0.46) PDK2ESR1ESR2LPLLIPG
SCHEMBL27864761 0.82 LPL (0.44) PDK2ESR1ESR2LPLLIPG
SCHEMBL367400 0.79 CYP2A6 (0.47) PDK2ESR1ESR2LPLLIPG
SCHEMBL464556 0.79 PDK2 (0.53) PDK2ESR1ESR2LPLLIPG
SCHEMBL2965864 0.78 PDK2 (0.43) PDK2LPLLIPGSLC6A2SLC6A4
SCHEMBL12983600 0.78 LPL (0.41) ESR1ESR2LPLLIPGALOX5
SCHEMBL2472869 0.78 CYP2A6 (0.48) PDK2ESR1ESR2LPLLIPG
SCHEMBL429952 0.78 CYP2A6 (0.48) PDK2ESR1ESR2LPLLIPG
SCHEMBL14305895 0.78 ALDH1A1 (0.48) PDK2ESR1ESR2LPLLIPG

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
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed