SCHEMBL28098320

SCHEMBL28098320

CCCCCCCCCCCCCCCCCCN(C=O)N1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.47
ADH1A P07327 2/20 0.47
ADH4 P08319 2/20 0.47
DNM1 Q05193 3/20 0.38
TSHR P16473 3/20 0.37
EPHX1 P07099 1/20 0.34
ADH1B P00325 1/20 0.34
ADH7 P40394 1/20 0.34
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
THRB P10828 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL27868845 1.00 ADH1C (0.47) ADH1CADH1AADH4DNM1TSHR
SCHEMBL8944529 0.91 ADH1A (0.43) ADH1CADH1AADH4DNM1TSHR
SCHEMBL28684578 0.91 ADH1A (0.43) ADH1CADH1AADH4DNM1TSHR
SCHEMBL28228737 0.89 ADH1C (0.32) ADH1CADH1AADH4
SCHEMBL7975725 0.74 ADH1C (0.38) ADH1CADH1AADH4DNM1TSHR
SCHEMBL28885990 0.72 ADH1C (0.50) ADH1CADH1AADH4DNM1TSHR
SCHEMBL3962903 0.69 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL2007141 0.69
SCHEMBL5479572 0.69 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR
SCHEMBL55195 0.69 ADH1C (0.52) ADH1CADH1AADH4DNM1TSHR

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
CN-106103286-A Method for packaging fibrous material 塞拉尼斯醋酸纤维有限公司 2016-11-09 CN disclosed