SCHEMBL2877959

SCHEMBL2877959

CCCC(Br)(Br)c1ccc2ccccc2c1C(Br)(Br)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KCNJ11 Q14654 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ8 Q15842 2/20 0.37
CYP2A6 P11509 2/20 0.37
TSHR P16473 2/20 0.37
HPRT1 P00492 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
HTR1B P28222 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GAA P10253 3/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL2880487 0.90 GAA (0.36) HSD17B10ALDH1A1KCNJ11TDP1ABCC9
SCHEMBL2880457 0.89 GAA (0.38) HSD17B10ALDH1A1KCNJ11TDP1ABCC9
SCHEMBL2878596 0.87 GAA (0.40) ALDH1A1KCNJ11TDP1ABCC9ABCC8
SCHEMBL2877857 0.87 GAA (0.40) ALDH1A1KCNJ11TDP1ABCC9ABCC8
SCHEMBL2878043 0.82 HSD17B10 (0.39) HSD17B10ALDH1A1KCNJ11TDP1ABCC9
SCHEMBL6680536 0.80 ALDH1A1 (0.39) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL2873415 0.75 KCNJ11 (0.39) HSD17B10ALDH1A1KCNJ11TDP1ABCC9
SCHEMBL2875690 0.72 ESR1 (0.33) ALDH1A1TDP1TSHRCYP2C19GAA
SCHEMBL6680563 0.70 HTR1B (0.39) ALDH1A1TDP1CYP2A6CYP1A2CYP2C19
SCHEMBL6684254 0.69 KDM4E (0.38) ALDH1A1TDP1CYP1A2CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100151392-A1 ANTIREFLECTIVE COATING COMPOSITIONS RAHMAN M DALIL 2010-06-17 US disclosed