SCHEMBL6728433

SCHEMBL6728433

CCCCS(CCCC)(CC(=O)C1CCCC1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
ENPP2 Q13822 2/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
ALB P02768 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35

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
SCHEMBL6735091 0.99 ENPP3 (0.44) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL6725767 0.89 ENPP3 (0.47) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL6735115 0.88 ENPP3 (0.48) ENPP3ENPP1ENPP2ALDH1A1CYP2D6
SCHEMBL6728928 0.81 ALDH1A1 (0.41) ENPP1ALDH1A1LMNATSHRPOLB
SCHEMBL6727540 0.80 ALDH1A1 (0.40) ENPP1ALDH1A1LMNATSHRGAA
SCHEMBL6730563 0.80 ENPP3 (0.48) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL6727649 0.79 ALDH1A1 (0.39) ALDH1A1LMNATSHRGAAALB
SCHEMBL6728930 0.79 ENPP3 (0.49) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL6728020 0.79 ALDH1A1 (0.39) ENPP1ALDH1A1LMNATSHRGAA
SCHEMBL7164293 0.79 NAAA (0.35) ENPP3ENPP1ENPP2LMNA

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-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed