SCHEMBL666460

SCHEMBL666460

C=C(C)C(=O)OCCN(C)C.C=C(CCCN(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
CHRM1 P11229 2/20 0.40
DNM1 Q05193 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
BCHE P06276 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL4165362 0.90 TSHR (0.54) TSHRTHRBCHRM1DNM1CHRM2
SCHEMBL4162830 0.90 TSHR (0.54) TSHRTHRBDNM1POLBAPEX1
Methacrylic Acid SCHEMBL1627466 0.89 CHRM1 (0.41) TSHRTHRBCHRM1DNM1CHRM2
Hydrochloric Acid SCHEMBL11323570 0.89 TSHR (0.53) TSHRTHRBDNM1POLBAPEX1
SCHEMBL3174745 0.86 DNM1 (0.50) TSHRTHRBCHRM1DNM1CHRM2
SCHEMBL4916842 0.86 TSHR (0.54) TSHRTHRBCHRM1DNM1CHRM2
SCHEMBL5804419 0.86 THRB (0.47) TSHRTHRBCHRM1DNM1CHRM2
Methacrylic Acid SCHEMBL11969913 0.85 THRB (0.48) TSHRTHRBCHRM1DNM1CHRM2
Methacrylic Acid SCHEMBL319586 0.85 THRB (0.48) TSHRTHRBCHRM1DNM1CHRM2
Bromide SCHEMBL4913238 0.85 TSHR (0.52) TSHRTHRBCHRM1DNM1CHRM2

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-20120045485-A1 SUSTAINED RELEASE DOSAGE FORM DOW GLOBAL TECHNOLOGIES INC. (US) 2012-02-23 US disclosed