SCHEMBL21279986

SCHEMBL21279986

COC(=O)CCCCCCCC[C@H](C)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
FAAH O00519 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 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
SCHEMBL17053635 1.00 TSHR (0.48) TSHRFAAHL3MBTL1TRPV1LMNA
SCHEMBL18339136 0.93 TSHR (0.52) TSHRFAAHL3MBTL1TRPV1LMNA
SCHEMBL13238140 0.85 TSHR (0.48) TSHRFAAHTRPV1LMNAALDH1A1
SCHEMBL4444590 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1
SCHEMBL1300727 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1
SCHEMBL7757360 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1
SCHEMBL11425834 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1
SCHEMBL4443385 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1
SCHEMBL5610948 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1
SCHEMBL1302084 0.84 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1CNR1

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-3173463-B1 BRANCHED DIESTERS FOR USE AS A BASE STOCK AND IN LUBRICANT APPLICATIONS ELEVANCE RENEWABLE SCIENCES (US) 2019-08-21 EP disclosed