SCHEMBL17812628

SCHEMBL17812628

CCC(C)c1ccc(C(O)(CC)C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CHRM2 P08172 5/20 0.44
CHRM1 P11229 5/20 0.44
CYP2D6 P10635 4/20 0.44
KCNH2 Q12809 4/20 0.44
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM3 P20309 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
HRH1 P35367 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL17812781 0.98 KMT2A (0.43) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL17812755 0.84 KMT2A (0.46) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL17812602 0.82 KMT2A (0.44) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL18905507 0.81 CHRM2 (0.48) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL18911063 0.80 CHRM2 (0.49) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL18905320 0.80 CHRM2 (0.46) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL2933098 0.78 CHRM2 (0.66) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL12441787 0.78 CHRM2 (0.66) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL18911066 0.78 CHRM2 (0.47) KMT2ACHRM2CHRM1CYP2D6KCNH2
SCHEMBL1836352 0.78 ESR1 (0.47) KMT2ACHRM2CHRM1CYP2D6KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9971245-B2 Silicon-containing polymer, silicon-containing compound, composition for forming a resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-15 US disclosed
US-9904172-B2 Shrink material and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-27 US disclosed
US-20160229939-A1 SILICON-CONTAINING POLYMER, SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160161850-A1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed