SCHEMBL8617758

SCHEMBL8617758

O=C(O)OCCCCCCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
GPR84 Q9NQS5 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
NAAA Q02083 1/20 0.38
APP P05067 2/20 0.38
CAMK2A Q9UQM7 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL28290892 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL1505795 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL27575500 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL8621718 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL575111 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL29013659 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL628079 1.00 ACHE (0.47) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL29244356 0.97 ACHE (0.46) ACHEGPR84FFAR1FFAR4ALDH1A1
Ethylene Glycol SCHEMBL7939434 0.97 ACHE (0.46) ACHEGPR84FFAR1FFAR4ALDH1A1
SCHEMBL575104 0.97

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
EP-0839177-A1 LIQUID CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 1998-05-06 EP disclosed
EP-0453966-B1 Ferroelectric liquid crystal display with high contrast and high brightness HOECHST AG (DE) 1997-02-26 EP disclosed
WO-1997004059-A1 LIQUID CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 1997-02-06 WO disclosed
EP-0453966-A2 Ferroelectric liquid crystal display with high contrast and high brightness HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-30 EP disclosed