SCHEMBL13645124

SCHEMBL13645124

CCC(C)C(=O)OC1CCC(C(=O)O)C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10900145 0.80 CHRM2 (0.38) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL13645134 0.79 CHRM2 (0.31) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL13645136 0.78 CHRM2 (0.31) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL12905149 0.78 LMNA (0.36) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL6721426 0.77 CYP19A1 (0.40) TRPM8CHRM2CHRM1CHRM3ADRA1A
SCHEMBL13073273 0.77 CYP19A1 (0.40) TRPM8CHRM2CHRM1CHRM3ADRA1A
SCHEMBL2759378 0.74 CASP6 (0.34) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL14091378 0.74 PPM1B (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL12198883 0.74 CHRM1 (0.33) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL21020801 0.74 CHRM2 (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4

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
US-7598015-B2 Polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-06 US disclosed