SCHEMBL16153286

SCHEMBL16153286

CC(C)(C)c1cc2cc(Br)c3cc(C(C)(C)C)cc4cc(Br)c(c1)c2c43

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL12432021 0.92 NR1I2 (0.30) GABRA1GABRB2HIF1ACYP1A2CYP2D6
SCHEMBL16153270 0.91 POLB (0.31) POLBTSHR
SCHEMBL27934028 0.82 GABRA1 (0.37) GABRA1GABRB2HIF1ACYP1A2CYP2D6
SCHEMBL22727792 0.79 HIF1A (0.40) GABRA1GABRB2HIF1ACYP1A2CYP2D6
SCHEMBL40334 0.79 GABRA1 (0.42) GABRA1GABRB2CYP2C19POLBALDH1A1
SCHEMBL4151318 0.79 HIF1A (0.42) GABRA1GABRB2HIF1ACYP1A2CYP2D6
SCHEMBL29278310 0.74 POLB (0.41) GABRA1GABRB2POLBALDH1A1RECQL
SCHEMBL243599 0.74 NR1I2 (0.34) GABRA1GABRB2HIF1ACYP1A2CYP2D6
SCHEMBL7526199 0.72 NR1I2 (0.42) GABRA1GABRB2HIF1ACYP1A2CYP2D6
SCHEMBL242040 0.72 CYP1A2 (0.36) GABRA1GABRB2HIF1ACYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608207-B2 Organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-28 US disclosed
US-9608207-B2 Organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-28 US disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 US disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 US disclosed