SCHEMBL9776540

SCHEMBL9776540

C=C(C)C(=O)OCCN(C)C.C=Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
CHRM2 P08172 5/20 0.47
CHRM4 P08173 5/20 0.47
CHRM5 P08912 5/20 0.47
CHRM1 P11229 5/20 0.47
CHRM3 P20309 5/20 0.47
PHLPP2 Q6ZVD8 1/20 0.38
SNCA P37840 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Styrene SCHEMBL446411 0.88 CHRM1 (0.43) BCHECHRM2CHRM4CHRM5CHRM1
Styrene SCHEMBL5397619 0.85 CHRM1 (0.41) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL635167 0.85 BCHE (0.51) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL6024939 0.85 SNCA (0.40) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL9776500 0.84 ALDH1A1 (0.40) BCHECHRM2CHRM4CHRM5CHRM1
Styrene SCHEMBL12076725 0.83 CHRM1 (0.40) BCHECHRM2CHRM4CHRM5CHRM1
Styrene SCHEMBL4280762 0.83 CHRM1 (0.40) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL27861823 0.82 TSHR (0.54) SNCAPOLBAPEX1HTTTDP1
Styrene SCHEMBL9643402 0.81 TSHR (0.47) BCHECHRM1POLBAPEX1HTT
Styrene SCHEMBL27638645 0.81 ALDH1A1 (0.39) BCHECHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033274-B Zwitterionic copolymer film material and preparation method thereof 华东理工大学 2020-02-28 CN disclosed
US-5017667-A Low temperature process, copolymerization with noncoupling monomer, color photography ILFORD LIMITED (GB) 1991-05-21 US disclosed