SCHEMBL7184752

SCHEMBL7184752

CCCCCCCCCCCC(=O)OS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)OC(=O)CCCCCCCCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STS P08842 4/20 0.40
PAM P19021 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7182276 1.00 DGKA (0.43) DGKACA1CA2CES2CES1
SCHEMBL7187298 1.00 DGKA (0.43) DGKACA1CA2CES2CES1
SCHEMBL7183376 0.98 CA1 (0.42) DGKACA1CA2CES2CES1
SCHEMBL7057715 0.89 ALDH1A1 (0.48) DGKACA1CA2LMNAGAA
SCHEMBL28416008 0.89 HSD17B3 (0.51) DGKALMNAALDH1A1
SCHEMBL28415270 0.89 HSD17B3 (0.51) DGKALMNAALDH1A1
SCHEMBL8210289 0.89 ALDH1A1 (0.48) DGKACA1CA2LMNAGAA
Ammonia Solution, Strong SCHEMBL27383584 0.88 ALDH1A1 (0.47) DGKACA1CA2LMNAGAA
SCHEMBL29664380 0.88 ALDH1A1 (0.51) DGKACA1CA2CES2CES1
SCHEMBL7290861 0.88 MEN1 (0.49) DGKACES2CES1PAM

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
EP-1083167-B1 Process for the preparation of aryl carboxylate esters EASTMAN CHEM CO (US) 2003-04-16 EP disclosed
US-6448430-B1 BY REACTION OF A PHENOL WITH A CARBOXYLIC ACID IN THE PRESENCE OF TRIFLUOROACETIC ACID (TFA) AND TRIFLUOROACETIC ANHYDRIDE (TFAA); RELATIVELY LOW TEMPERATURE EASTMAN CHEMICAL COMPANY 2002-09-10 US disclosed
EP-1083167-A1 Process for the preparation of aryl carboxylate esters EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed