SCHEMBL11236751

SCHEMBL11236751

CCOCC(O)CNC(C)CN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.40
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL11235909 0.89 HSD17B10 (0.48) KDM4EHTTHPGDPOLBADRB2
SCHEMBL11233623 0.84 HTT (0.56) KDM4EHTTHPGDPOLBADRB2
SCHEMBL11222567 0.82 MAPT (0.41) HTTHPGDPOLBADRB2ADRB1
SCHEMBL11231094 0.82 HTT (0.66) HTTHPGDPOLB
SCHEMBL179147 0.82 ADRB2 (0.49) KDM4EHTTADRB2ADRB1ADRB3
SCHEMBL11224853 0.81 CASR (0.36) KDM4EHTTHPGDADRB2ADRB1
SCHEMBL2431055 0.79 HPGD (0.34) HTTHPGDPOLB
SCHEMBL11227378 0.79 KDM4E (0.42) KDM4EHTTHPGDPOLBADRB2
SCHEMBL11231874 0.77 KDM4E (0.53) KDM4EHTTHPGDPOLB
SCHEMBL24658807 0.77

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