SCHEMBL13645161

SCHEMBL13645161

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.34
GRM3 Q14832 1/20 0.34
HMGCR P04035 3/20 0.31
BTK Q06187 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.30
MLNR O43193 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30
GABRR1 P24046 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
SCHEMBL131566 0.81 CYP19A1 (0.42) HMGCRSLCO1B1CHRM1HTR2AOPRM1
SCHEMBL3434648 0.80 EPHX1 (0.37) HMGCRMLNRCHRM2CHRM1CHRM3
SCHEMBL13645133 0.79 BTK (0.32) BTK
SCHEMBL13645199 0.78 BTK (0.31) BTK
SCHEMBL1628201 0.78 LMNA (0.36) HMGCRMLNRCHRM2CHRM1CHRM3
SCHEMBL132269 0.77 CYP19A1 (0.40) HMGCRMLNRCHRM2CHRM1CHRM3
SCHEMBL13829223 0.76 HMGCR (0.32) HMGCR
SCHEMBL18253385 0.75 APOBEC3A (0.33)
SCHEMBL12309585 0.75 FKBP1A (0.31)
SCHEMBL3435835 0.75 RAB9A (0.36) HMGCRSLCO1B1

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