SCHEMBL5808285

SCHEMBL5808285

CC(C)OC(=O)C(CO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
CHRM5 P08912 5/20 0.50
CHRM3 P20309 5/20 0.50
CHRM4 P08173 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTR2C P28335 2/20 0.50
BLM P54132 2/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
SLC22A1 O15245 1/20 0.50
ADRA1D P25100 1/20 0.50
TSHR P16473 4/20 0.49
PABPC1 P11940 1/20 0.48

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
SCHEMBL22087970 0.86 TSHR (0.45) CHRM1KMT2APOLBTSHR
SCHEMBL2290954 0.86 CRHBP (0.53) MEN1KMT2ALMNAKDM4EPOLB
SCHEMBL18853745 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL2293835 0.83 CYP1A2 (0.47) POLBTSHRCYP2C19CYP1A2
SCHEMBL22086920 0.83 POLB (0.50) CHRM1KMT2APOLBSLC22A1TSHR
SCHEMBL5812804 0.81 KMT2A (0.60) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL30870371 0.81 KMT2A (0.60) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL28017274 0.81 HTT (0.47) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL2296077 0.80 POLB (0.52) POLBTSHR
SCHEMBL10635430 0.80 MMP8 (0.54) CHRM2CHRM1CHRM5CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed