SCHEMBL1698005

SCHEMBL1698005

CC[C@@H](OC(C)=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
GALR3 O60755 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGD P52209 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 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
SCHEMBL1232896 1.00 TSHR (0.48) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL7875149 0.87 TDP1 (0.48) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL15261665 0.83 TSHR (0.46) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL362428 0.83 TSHR (0.46) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL7539461 0.83 TSHR (0.46) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL14693780 0.82 ALDH1A1 (0.33) TSHRTRPV1ALDH1A1LMNA
SCHEMBL28084580 0.81 TRPV1 (0.44) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL6725548 0.80 MMP1 (0.34) TSHRLMNA
SCHEMBL28292460 0.80 TDP1 (0.43) TSHRTDP1TRPV1CHRM2CHRM4
SCHEMBL6725545 0.80 TSHR (0.31) TSHRLMNA

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-2011163337-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2011-12-29 WO claimed