SCHEMBL20171338

SCHEMBL20171338

CCCC(=O)OCCOC(=O)CC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
ELANE P08246 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
DNM1 Q05193 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
BLM P54132 1/20 0.35
HTR2C P28335 1/20 0.35
NAAA Q02083 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 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
SCHEMBL17350548 0.90 ELANE (0.41) DGKAALDH1A1MAPTADRA2AADRA1A
SCHEMBL2356624 0.86 ELANE (0.39) DGKAALDH1A1MAPTELANETDP1
SCHEMBL1031054 0.84 ALDH1A1 (0.39) DGKAALDH1A1MAPTADRA2AADRA1A
SCHEMBL17322488 0.84 DGKA (0.50) DGKAALDH1A1MAPTADRA2AADRA1A
SCHEMBL2247326 0.83 DGKA (0.37) DGKAALDH1A1MAPTELANETDP1
SCHEMBL23646835 0.82 NAAA (0.48) DGKAALDH1A1MAPTELANETDP1
SCHEMBL28711343 0.82 DGKA (0.44) DGKAALDH1A1MAPTADRA2AADRA1A
SCHEMBL22115798 0.82 ALDH1A1 (0.38) DGKAALDH1A1MAPTELANETDP1
Ethylene Glycol Dibutanoate SCHEMBL104207 0.81 DGKA (0.65) DGKAALDH1A1MAPTADRA2AADRA1A
SCHEMBL22115737 0.81 TSHR (0.50) DGKAALDH1A1MAPTELANETDP1

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
EP-2952505-B1 A HINDERED PHENOL COMPOUND, PREPARATION THEREOF AND USE THEREOF AS AN ANTIOXIDANT CHINA PETROLEUM & CHEM CORP (CN) 2018-05-23 EP disclosed