SCHEMBL13898221

SCHEMBL13898221

CCC(C)c1cc(C)c(Bc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL13898165 0.83 CYP17A1 (0.36) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13897884 0.83 ALDH1A1 (0.38) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13898167 0.82 ALDH1A1 (0.37) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13897740 0.81 ALDH1A1 (0.33) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13897883 0.80 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL13897743 0.80 LMNA (0.34) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13898164 0.80 ALDH1A1 (0.36) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13898215 0.80 SMN1; SMN2 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13897879 0.77 RAPGEF4 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13898155 0.77 NPSR1 (0.40) ALDH1A1USP2GAAPKMHPGD

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