SCHEMBL19901112

SCHEMBL19901112

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.38
CHRM1 P11229 6/20 0.38
KCNH2 Q12809 6/20 0.38
CYP2D6 P10635 4/20 0.38
CHRM3 P20309 3/20 0.33
CHRM4 P08173 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
HRH1 P35367 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL17812755 0.84 KMT2A (0.46) CHRM2CHRM1KCNH2CYP2D6KMT2A
SCHEMBL17812602 0.82 KMT2A (0.44) CHRM2CHRM1KCNH2CYP2D6KMT2A
SCHEMBL18905366 0.76 KEAP1 (0.40) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL18671859 0.76 OPRD1 (0.37) CHRM2CHRM1KCNH2CYP2D6MEN1
SCHEMBL17812680 0.74 KMT2A (0.38) CHRM2CHRM1KCNH2CYP2D6MEN1
SCHEMBL18911003 0.74 NPC1 (0.42) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL18905316 0.74 KEAP1 (0.41) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL19130799 0.74 NPC1 (0.42) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL18697244 0.74 CHRM2 (0.43) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL18911189 0.74 NPY2R (0.41) CHRM2CHRM1KCNH2CYP2D6CHRM3

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-9904172-B2 Shrink material and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-27 US disclosed