SCHEMBL8038485

SCHEMBL8038485

C=C1CC(COC(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA5 P30532 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3727933 0.85 TDP1 (0.50) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL8447322 0.82 CARM1 (0.61) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL532785 0.82 CARM1 (0.61) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL22005207 0.79 CARM1 (0.58) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL1026556 0.79 TDP1 (0.52) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL25445958 0.79 CARM1 (0.58) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL2023266 0.78 ALDH1A1 (0.51) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL9118362 0.78 ALDH1A1 (0.51) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL2022684 0.78 ALDH1A1 (0.51) CARM1PRMT6TDP1CHRNB2CHRNA5
SCHEMBL12959087 0.78 TDP1 (0.50) CARM1PRMT6TDP1CHRNB2CHRNA5

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-6080750-A FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS NIPPON SHOJI KAISHA LTD. (JP) 2000-06-27 US disclosed
EP-0806418-A2 Novel pyrimidine compound and anti-rotavirus agent NIPPON SHOJI KAISHA, LIMITED (JP) 1997-11-12 EP disclosed