SCHEMBL8941123

SCHEMBL8941123

[CH2]CCCCCCC/C(=C/CCCCCCCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
TDP1 Q9NUW8 1/20 0.42
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
EPHX2 P34913 3/20 0.40
FAAH O00519 2/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTGS2 P35354 2/20 0.38
NR5A1 Q13285 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL8941124 1.00 TBXAS1 (0.56) TBXAS1CES2CES1TDP1SOAT2
Ethylene Glycol SCHEMBL7783597 0.88 TBXAS1 (0.59) TBXAS1CES2CES1TDP1SOAT2
SCHEMBL16167100 0.79 TBXAS1 (0.46) TBXAS1CES2CES1SOAT2SOAT1
SCHEMBL28481686 0.78 TBXAS1 (0.48) TBXAS1CES2CES1SOAT2SOAT1
SCHEMBL299556 0.78 CES2 (0.50) TBXAS1CES2CES1TDP1LMNA
SCHEMBL9312401 0.77 CES2 (0.56) TBXAS1CES2CES1TDP1EPHX2
SCHEMBL27526812 0.77 CES2 (0.56) TBXAS1CES2CES1TDP1EPHX2
SCHEMBL27608811 0.77 CES2 (0.56) TBXAS1CES2CES1TDP1EPHX2
SCHEMBL11896276 0.77 CES2 (0.56) TBXAS1CES2CES1TDP1EPHX2
SCHEMBL28481685 0.77 TBXAS1 (0.47) TBXAS1CES2CES1TDP1SOAT2

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
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed