SCHEMBL14769032

SCHEMBL14769032

CCC(C)(C)C(=O)OC1CCC(OCOC)CC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
FKBP1A P62942 3/20 0.31
CYP19A1 P11511 1/20 0.31
EPHX1 P07099 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL2625659 0.86 APOBEC3A (0.36) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL3434648 0.86 EPHX1 (0.37) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL10447883 0.83
SCHEMBL18119952 0.83 FKBP1A (0.34) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL16590999 0.82 FKBP1A (0.33) FKBP1A
SCHEMBL14728740 0.81 HMGCR (0.31)
SCHEMBL132269 0.80 CYP19A1 (0.40) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL2625661 0.80 CHRM3 (0.34) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL2754858 0.80 CHRM3 (0.34) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL3435204 0.79 EPHX1 (0.43) MLNRCHRM2CHRM1CHRM3HTR2A

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
US-20130130177-A1 NEGATIVE PATTERN FORMING PROCESS AND NEGATIVE RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-23 US disclosed
US-20130065183-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-14 US disclosed