SCHEMBL8968847

SCHEMBL8968847

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.62
HSD17B10 Q99714 3/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
DGKA P23743 1/20 0.55
TERT O14746 3/20 0.54
PTPN1 P18031 3/20 0.54
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
CYP1A2 P05177 2/20 0.54
MAPT P10636 2/20 0.54
CYP2C19 P33261 2/20 0.54
BLM P54132 2/20 0.54
FABP4 P15090 2/20 0.54
KMT2A Q03164 2/20 0.54
GMNN O75496 1/20 0.54

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
SCHEMBL464534 1.00 FAAH (0.62) FAAHHSD17B10CYP3A4ALOX15TDP1
Sulfuric Acid SCHEMBL9787798 0.94 FAAH (0.56) FAAHHSD17B10CYP3A4ALOX15TDP1
SCHEMBL2429250 0.90 TERT (0.61) FAAHHSD17B10CYP3A4ALOX15TDP1
SCHEMBL28455083 0.90 TERT (0.61) FAAHHSD17B10CYP3A4ALOX15TDP1
SCHEMBL9069822 0.90 TERT (0.61) FAAHHSD17B10CYP3A4ALOX15TDP1
SCHEMBL9069802 0.90 TERT (0.61) FAAHHSD17B10CYP3A4ALOX15TDP1
SCHEMBL382296 0.90 DGKA (0.59) ALDH1A1TSHRDGKAMAPTKMT2A
SCHEMBL6890027 0.90 DGKA (0.59) ALDH1A1TSHRDGKAMAPTKMT2A
SCHEMBL3327698 0.90 DGKA (0.59) ALDH1A1TSHRDGKAMAPTKMT2A
SCHEMBL27396784 0.90 DGKA (0.59) ALDH1A1TSHRDGKAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498648-A ALKYLDIKETENE BASF AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
US-5254590-A Enzyme inhibitors, anticholesterol, treatment of atheroscherosis, dylipidemias ADIR ET COMPAGNIE (FR) 1993-10-19 US disclosed
EP-0508842-A1 Aminoacylphenol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-10-14 EP disclosed
US-5072015-A Neutralization, hydrolysis HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-12-10 US disclosed