SCHEMBL28249451

SCHEMBL28249451

C=C(C)CCCC(C)CCOC(=O)CCC.C=C(C)CCCC(C)CCOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 3/20 0.40
DGKA P23743 1/20 0.37
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.32
TSHR P16473 2/20 0.32
DNM1 Q05193 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL3504718 0.96 DGKA (0.40) ALOX15PTPN1ALDH1A1DGKAMAPT
SCHEMBL891472 0.89 ALOX15 (0.53) ALOX15PTPN1ALDH1A1MAPTTSHR
SCHEMBL28250115 0.87 ALOX15 (0.35) ALOX15PTPN1DGKAMAPTEPHX2
SCHEMBL3506899 0.85 NAAA (0.41) ALOX15PTPN1DGKAEPHX2TSHR
SCHEMBL21067035 0.85 NAAA (0.41) ALOX15PTPN1DGKAEPHX2TSHR
SCHEMBL21067033 0.85 NAAA (0.41) ALOX15PTPN1DGKAEPHX2TSHR
Propionic Acid SCHEMBL14763827 0.81 NAAA (0.38) ALOX15PTPN1DGKAMAPTEPHX2
SCHEMBL3505384 0.81 PTPN1 (0.39) ALOX15PTPN1ALDH1A1EPHX2TSHR
SCHEMBL3503131 0.79 BLM (0.46) ALOX15PTPN1ALDH1A1DGKAMAPT
SCHEMBL3855760 0.79 BLM (0.46) ALOX15PTPN1ALDH1A1DGKAMAPT

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed