SCHEMBL18911063

SCHEMBL18911063

CCC(O)(c1ccc(C)cc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.49
CHRM1 P11229 5/20 0.49
CYP2D6 P10635 4/20 0.49
KCNH2 Q12809 4/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRM3 P20309 3/20 0.43
TSHR P16473 3/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
HRH1 P35367 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL18911066 0.98 CHRM2 (0.47) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL18905507 0.85 CHRM2 (0.48) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL12441787 0.84 CHRM2 (0.66) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL1836352 0.84 ESR1 (0.47) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL2933098 0.84 CHRM2 (0.66) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL18905320 0.83 CHRM2 (0.46) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL11158205 0.81 CHRM2 (0.45) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL17812628 0.80 KMT2A (0.45) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL17812781 0.78 KMT2A (0.43) CHRM2CHRM1CYP2D6KCNH2MEN1
SCHEMBL19130799 0.77 NPC1 (0.42) CHRM2CHRM1CYP2D6KCNH2MEN1

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-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed