SCHEMBL27490246

SCHEMBL27490246

CCC1(CC)CC(OC(=O)c2ccccc2)CC(C)(C)N1OCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.47
CHRNA7 P36544 4/20 0.44
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9376029 0.80 TSHR (0.64) TSHRKMT2AGAACHRNA7HTT
SCHEMBL9038816 0.79 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT
SCHEMBL7478103 0.79 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT
SCHEMBL6299616 0.79 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT
SCHEMBL9040556 0.79 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT
SCHEMBL4797945 0.79 TSHR (0.60) TSHRKMT2AGAACHRNA7HTT
SCHEMBL4797939 0.79 TSHR (0.60) TSHRKMT2AGAACHRNA7HTT
SCHEMBL7476120 0.79 TSHR (0.70) TSHRKMT2AGAACHRNA7HTT
SCHEMBL9043360 0.79 TSHR (0.73) TSHRKMT2AGAACHRNA7HTT
SCHEMBL4804356 0.79 TSHR (0.57) TSHRKMT2AGAACHRNA7ALDH1A1

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-1171871-C 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators �������⻯ѧƷ�ع����޹�˾ 2004-10-20 CN disclosed
CN-1228424-A 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SC HOLDING AG (CH) 1999-09-15 CN disclosed