SCHEMBL14764285

SCHEMBL14764285

CCCC(C(=O)OCC)C(O)CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL14763770 0.86 GPR84 (0.42) POLBLMNATP53CYP3A4CYP2D6
SCHEMBL18050528 0.85 CA2 (0.40) POLBALDH1A1TDP1CPB2CYP3A4
SCHEMBL28154238 0.82 LMNA (0.42) POLBALDH1A1LMNAHSD17B10ALOX15
SCHEMBL234751 0.81 ALDH1A1 (0.46) POLBALDH1A1LMNAHSD17B10ALOX15
SCHEMBL28646109 0.78 TDP1 (0.44) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL28108697 0.76 ALOX15 (0.39) POLBALDH1A1LMNAHSD17B10ALOX15
SCHEMBL29186605 0.76 GPR84 (0.46) POLBLMNATP53CYP3A4CYP2D6
SCHEMBL1227849 0.75 ALDH1A1 (0.40) POLBALDH1A1LMNAHSD17B10ALOX15
SCHEMBL8738949 0.75 ALDH1A1 (0.40) POLBALDH1A1LMNAHSD17B10ALOX15
SCHEMBL1227865 0.74 TP53 (0.40) POLBALDH1A1LMNAHSD17B10ALOX15

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
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed