SCHEMBL28514832

SCHEMBL28514832

C=C(C)C(=O)OC(=O)c1ccccc1.C=C(C)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.50
F2 P00734 1/20 0.50
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.41
ATM Q13315 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL777588 1.00 ELANE (0.54) ELANETSHRLMNAF2ALDH1A1
SCHEMBL3972789 0.98 ELANE (0.53) ELANETSHRLMNAF2ALDH1A1
SCHEMBL27711832 0.98 ELANE (0.53) ELANETSHRLMNAF2ALDH1A1
SCHEMBL3788226 0.98 ELANE (0.53) ELANETSHRLMNAF2ALDH1A1
SCHEMBL3794632 0.98 ELANE (0.53) ELANETSHRLMNAF2ALDH1A1
Benzoic Acid SCHEMBL27830619 0.93 ELANE (0.49) ELANETSHRLMNAF2ALDH1A1
SCHEMBL28478234 0.90 ELANE (0.46) ELANETSHRLMNAALDH1A1TDP1
SCHEMBL4595754 0.86 TDP1 (0.50) ELANETSHRALDH1A1TDP1HSD17B10
Methacrylic Acid SCHEMBL777587 0.86 TSHR (0.54) ELANETSHRLMNAF2ALDH1A1
SCHEMBL3385461 0.84 ELANE (0.54) ELANETSHRLMNAF2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105647546-B Liquid-crystalline medium 默克专利股份有限公司 2021-05-07 CN disclosed
CN-105602576-B Liquid-crystalline medium 默克专利股份有限公司 2021-02-12 CN disclosed
CN-105820824-B Liquid-crystalline medium 默克专利股份有限公司 2021-01-08 CN disclosed