SCHEMBL2880325

SCHEMBL2880325

ClCCCC(Cl)Cc1ccc2ccccc2c1CC(Cl)CCCCl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 3/20 0.33
CYP2A6 P11509 2/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPRT1 P00492 1/20 0.31
PAX8 Q06710 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL2880469 0.97 L3MBTL1 (0.35) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2875930 0.96 L3MBTL1 (0.34) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2877905 0.96 L3MBTL1 (0.34) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2873420 0.92 L3MBTL1 (0.38) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2875181 0.85 L3MBTL1 (0.40) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL6680303 0.82 CTNNB1 (0.44) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL6681468 0.79 CTNNB1 (0.42) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL6682634 0.78 CTNNB1 (0.41) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL6686910 0.78 CTNNB1 (0.41) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL2880974 0.75 ALDH1A1 (0.31) ALDH1A1MAPT

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