SCHEMBL19320447

SCHEMBL19320447

CN(CCOC(=O)CC(=O)OCCN(C)S(=O)(=O)CF)S(=O)(=O)F

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNA4 P43681 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
SCHEMBL19320448 0.74 ALDH1A1 (0.39) GAACHRM2CHRM4CHRM5CHRM1
SCHEMBL28569314 0.69 TSHR (0.46) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL4413845 0.67 CHRM1 (0.60) DNM1MGAMGAASIMGAM2
SCHEMBL29443939 0.66 PIK3CD (0.37)
SCHEMBL19170102 0.65 BLM (0.34)
SCHEMBL19170057 0.64 PHF8 (0.41) GAA
SCHEMBL27870179 0.60 MGAM (0.46) MGAMGAASIMGAM2CHRM2
SCHEMBL15216240 0.59 TSHR (0.47) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7346742 0.59 CHRM2 (0.54) DNM1MGAMGAASIMGAM2
SCHEMBL11039555 0.59 CHRM1 (0.54) DNM1GAACHRM2CHRM4CHRM5

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-20170252761-A1 SPRAY APPLICATION SYSTEM COMPONENTS COMPRISING A REPELLENT SURFACE AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2017-09-07 US disclosed