SCHEMBL9236338

SCHEMBL9236338

CCOC(=O)OC1(C#N)Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 4/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL18091486 0.76 ALDH1A1 (0.36) BRD4OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL6183360 0.76 BRD4 (0.48) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7270574 0.74 ALDH1A1 (0.41) SMN1; SMN2TSHRALDH1A1GAALMNA
SCHEMBL7276909 0.73 ALDH1A1 (0.40) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL14803275 0.70 ALDH1A1 (0.35) OPRM1TSHRALDH1A1GAALMNA
SCHEMBL7301462 0.69 BRD4 (0.54) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL16836131 0.68 BRD4 (0.52) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL21142455 0.68 BRD4 (0.68) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL31034902 0.67 BRD4 (0.51) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL30801469 0.67 BRD4 (0.51) BRD4OPRM1OPRD1OPRK1SLC22A1

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
EP-0635500-A1 5,6-Dihydro-(4H)1,3-oxazine and -thiazine derivatives as insecticides YASHIMA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-25 EP disclosed