SCHEMBL4737559

SCHEMBL4737559

O=CC(F)CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.38
MAPT P10636 2/20 0.38
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL9938314 0.72
SCHEMBL6222581 0.71 HSD17B10 (0.53) HSD17B10MEN1KMT2AATMMAPT
SCHEMBL8902458 0.71 HSD17B10 (0.44) HSD17B10MEN1KMT2AATMMAPT
SCHEMBL10403034 0.71 HSD17B10 (0.44) HSD17B10MEN1KMT2AATMMAPT
SCHEMBL1055186 0.71
SCHEMBL7477423 0.70 ANPEP (0.48) HSD17B10MEN1KMT2AATMMAPT
SCHEMBL9431693 0.70 HSD17B10 (0.47) HSD17B10MEN1KMT2AATMMAPT
SCHEMBL10403108 0.70 HSD17B10 (0.47) HSD17B10MEN1KMT2AATMMAPT
SCHEMBL3321844 0.69 MEN1 (0.55) HSD17B10MEN1KMT2AATMMAPT
Hydrochloric Acid SCHEMBL22468575 0.69 MEN1 (0.48) HSD17B10MEN1KMT2AATMMAPT

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
WO-2008090046-A1 ALTERNATE PROCESS FOR PREPARING 3,5-DI-OMICRON-ACYL-2-FLUORO-2-C-METHYL-D-RIBONO-GAMMA-LACTONE F. HOFFMANN-LA ROCHE AG (CH) 2008-07-31 WO claimed
WO-2008090046-A1 ALTERNATE PROCESS FOR PREPARING 3,5-DI-OMICRON-ACYL-2-FLUORO-2-C-METHYL-D-RIBONO-GAMMA-LACTONE F. HOFFMANN-LA ROCHE AG (CH) 2008-07-31 WO disclosed