SCHEMBL431640

SCHEMBL431640

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(Br)ccc6c5)ccc3-4)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDK2 Q15119 14/20 0.41
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
CDC25A P30304 1/20 0.36
PTPRC P08575 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL322802 1.00 CYP2A6 (0.43) CYP2A6CYP11B1CYP11B2PDK2PTPN1
SCHEMBL2472423 0.95 CYP2A6 (0.42) CYP2A6CYP11B1CYP11B2PDK2PTPRC
SCHEMBL30631789 0.91 PDK2 (0.49) PDK2PTPRC
SCHEMBL431791 0.91 PDK2 (0.49) PDK2PTPRC
SCHEMBL431255 0.91 PDK2 (0.49) PDK2PTPRC
SCHEMBL20938291 0.91 CYP11B1 (0.42) CYP2A6CYP11B1CYP11B2PDK2PTPN1
SCHEMBL2965864 0.91 PDK2 (0.43) PDK2LPLLIPG
SCHEMBL12560767 0.90 CYP2A6 (0.38) CYP2A6CYP11B1CYP11B2PDK2PTPN1
SCHEMBL2472869 0.89 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2PDK2LPL
SCHEMBL429952 0.89 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2PDK2LPL

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