SCHEMBL1301856

SCHEMBL1301856

CCCC(C)CCC(CCC(C)CCC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ACE2 Q9BYF1 1/20 0.37
PRKCA P17252 2/20 0.37
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
TBXA2R P21731 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
HRH1 P35367 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALOX15 P16050 1/20 0.34
CTSK P43235 1/20 0.34
AKR1A1 P14550 1/20 0.33

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
SCHEMBL1301058 0.98 TSHR (0.39) TSHRACE2PRKCACHRM1CHRM2
SCHEMBL1302337 0.92 PRKCA (0.38) TSHRACE2PRKCACHRM1CHRM2
SCHEMBL1301754 0.91 ACE2 (0.47) ACE2PRKCALMNAGLS2
SCHEMBL1301356 0.89 ACE2 (0.50) ACE2PRKCALMNATRPV1GLS2
SCHEMBL1302366 0.89 ACE2 (0.50) ACE2PRKCALMNATRPV1GLS2
SCHEMBL4838071 0.84 TSHR (0.43) TSHRPRKCACHRM1CHRM2CHRM4
SCHEMBL1302606 0.80 TRPV1 (0.40) TSHRACE2CHRM1CHRM2CHRM4
SCHEMBL764402 0.79 CTSK (0.38) TSHRPRKCACHRM1CHRM2CHRM4
SCHEMBL1301815 0.79 ACE2 (0.55) ACE2PRKCALMNATRPV1GLS2
SCHEMBL28419546 0.77 PRKCA (0.45) TSHRPRKCACHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102271498-A Pheromone dispenser 2011-12-07 CN disclosed
US-20110266361-A1 PHEROMONE DISPENSER BASF SE (DE) 2011-11-03 US disclosed