SCHEMBL13645136

SCHEMBL13645136

CCC(C)C(=O)OC1CCC2CCC(C(=O)O)CC2C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13645134 0.96 CHRM2 (0.31) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL12905149 0.84 LMNA (0.36) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL2759378 0.82 CASP6 (0.34) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL12198883 0.82 CHRM1 (0.33) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL13645124 0.78 TRPM8 (0.33) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL10900145 0.77 CHRM2 (0.38) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL13645199 0.75 BTK (0.31)
SCHEMBL21761426 0.73
SCHEMBL13361719 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2905918 0.71 ACE (0.45) CHRNA4SMN1; SMN2

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