SCHEMBL13898103

SCHEMBL13898103

COc1cc(C)c(Bc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PTPN1 P18031 2/20 0.41
RAPGEF4 Q8WZA2 2/20 0.39
CYP3A4 P08684 3/20 0.38
ACHE P22303 3/20 0.37
FFAR4 Q5NUL3 3/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
HPGD P15428 3/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL13898129 0.83 CYP3A4 (0.50) ALDH1A1PTPN1CYP3A4HPGDCYP1A1
SCHEMBL340502 0.83 RAPGEF4 (0.43) ALDH1A1RAPGEF4ACHEKDM4EMAPT
SCHEMBL4234420 0.80 RAPGEF4 (0.41) ALDH1A1RAPGEF4ACHEKDM4EMAPT
SCHEMBL13898130 0.77 CYP3A4 (0.46) ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E
SCHEMBL13898188 0.75 ABL1 (0.47) ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E
SCHEMBL13897779 0.74 CA1 (0.35) ALDH1A1PTPN1
SCHEMBL26201058 0.73 ALDH1A1 (0.43) ALDH1A1PTPN1RAPGEF4CYP3A4ACHE
SCHEMBL12501 0.72 ALDH1A1 (0.73) ALDH1A1PTPN1CYP3A4ACHEHPGD
SCHEMBL145855 0.72 ALDH1A1 (0.62) ALDH1A1PTPN1CYP3A4ACHEHPGD
SCHEMBL13897768 0.71 ALDH1A1 (0.50) ALDH1A1RAPGEF4CYP3A4ACHEKDM4E

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-7510782-B2 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2009-03-31 US disclosed
US-20070167588-A1 Boron-containing polymer compound and organic light emitting device using the same SHOWA DENKO K.K. (JP) 2007-07-19 US disclosed