SCHEMBL2877962

SCHEMBL2877962

BrCCC(Br)Cc1ccc2ccccc2c1CC(Br)CCBr

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HPRT1 P00492 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2880489 0.91 HSD17B10 (0.34) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2880458 0.89 CYP1A2 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2878597 0.88 CYP1A2 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2877862 0.88 CYP1A2 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2878045 0.87 HSD17B10 (0.38) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6680543 0.81 CTNNB1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL2875695 0.74 TDP1 (0.32) TDP1
SCHEMBL6680567 0.72 CTNNB1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL6684264 0.71 CTNNB1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL271166 0.70 TDP1 (0.45) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1

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