SCHEMBL1300960

SCHEMBL1300960

CC(=O)OCCC(C)CC/C=C(\C)C=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.73
ALDH1A1 P00352 4/20 0.38
PTPN1 P18031 1/20 0.38
BTN3A1 O00481 1/20 0.35
EPHX2 P34913 1/20 0.35
NFE2L2 Q16236 1/20 0.35
USP2 O75604 1/20 0.33
TSHR P16473 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 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
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 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
SCHEMBL1300963 1.00 ALOX15 (0.73) ALOX15ALDH1A1PTPN1BTN3A1EPHX2
Citronellyl Acetate SCHEMBL20912959 0.84 ALOX15 (1.00) ALOX15ALDH1A1PTPN1EPHX2NFE2L2
Citronellyl Acetate SCHEMBL157075 0.84 ALOX15 (1.00) ALOX15ALDH1A1PTPN1EPHX2NFE2L2
Citronellyl Acetate SCHEMBL1866109 0.84 ALOX15 (1.00) ALOX15ALDH1A1PTPN1EPHX2NFE2L2
SCHEMBL8007782 0.82 ALOX15 (0.71) ALOX15ALDH1A1PTPN1EPHX2USP2
SCHEMBL25557425 0.82 ALOX15 (0.71) ALOX15ALDH1A1PTPN1EPHX2USP2
Citronellyl Acetate SCHEMBL2464823 0.81 ALOX15 (0.93) ALOX15ALDH1A1PTPN1EPHX2NFE2L2
SCHEMBL21903088 0.80 ALOX15 (0.73) ALOX15ALDH1A1PTPN1EPHX2NFE2L2
SCHEMBL21903087 0.80 ALOX15 (0.73) ALOX15ALDH1A1PTPN1EPHX2NFE2L2
SCHEMBL7552905 0.80 ALOX15 (0.70) ALOX15ALDH1A1PTPN1TSHRCHRM5

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