SCHEMBL11235646

SCHEMBL11235646

CCOCC(O)CNCCN

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.38
ANPEP P15144 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 2/20 0.33
HTR1A P08908 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 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
SCHEMBL11386042 0.96 KDM4E (0.50) KDM4EHTTANPEPALDH1A1KMT2A
SCHEMBL11225463 0.96 KDM4E (0.50) KDM4EHTTANPEPALDH1A1KMT2A
SCHEMBL11387212 0.93 KDM4E (0.50) KDM4EHTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL14726523 0.90 KDM4E (0.47) KDM4EHTTANPEPALDH1A1KMT2A
SCHEMBL14198102 0.88 KDM4E (0.57) KDM4EALDH1A1KMT2ASMN1; SMN2ADRB2
SCHEMBL11231807 0.87 KDM4E (0.52) KDM4EHTTANPEPALDH1A1KMT2A
SCHEMBL16948555 0.86 KDM4E (0.59) KDM4EHTTKMT2AADRB2ADRB1
SCHEMBL11232438 0.84 HTT (0.54) KDM4EHTTALDH1A1KMT2A
SCHEMBL11023778 0.82 HTT (0.62) KDM4EHTT
SCHEMBL23742102 0.81 KDM4E (0.46) KDM4EHTTANPEPALDH1A1KMT2A

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
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed