SCHEMBL21020801

SCHEMBL21020801

CCC(C)C(=O)OC1CC(C)CC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HMGCR P04035 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL19245716 0.89 CHRM2 (0.33) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL17404455 0.86 CHRM2 (0.32) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL6721426 0.81 CYP19A1 (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL13073273 0.81 CYP19A1 (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL13563644 0.81 HMGCR (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL17639951 0.80 LMNA (0.54) ALDH1A1HMGCRCYP1A2CYP2C9CYP2C19
SCHEMBL10900145 0.80 CHRM2 (0.38) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL22402837 0.80 CHRM2 (0.36) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL17515447 0.80 CHRM2 (0.36) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL16787975 0.77 CHRM2 (0.35) 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
EP-3205640-B1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2019-05-22 EP disclosed