SCHEMBL11244400

SCHEMBL11244400

CCOC(=O)[C]1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.38
GRM1 Q13255 2/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 5/20 0.35
RAB9A P51151 1/20 0.35
FDFT1 P37268 1/20 0.35
GAA P10253 4/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 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
SCHEMBL11239464 0.80 SLC6A3 (0.53) SLC6A3SLC6A4MAPTKMT2ATSHR
SCHEMBL654652 0.77 SLC6A3 (0.40) SLC6A3SLC6A4KDM4EALOX15MEN1
SCHEMBL11245895 0.77 SLC6A3 (0.40) SLC6A3SLC6A4KDM4ELMNAMAPT
SCHEMBL5429764 0.74 LMNA (0.47) SLC6A3KDM4ELMNAMAPTALOX15
SCHEMBL2328254 0.74 LMNA (0.47) SLC6A3KDM4ELMNAMAPTALOX15
SCHEMBL29635938 0.73 ESR2 (0.43) SLC6A3SLC6A4EPHX2KDM4ELMNA
SCHEMBL27864843 0.73 ESR2 (0.43) SLC6A3SLC6A4EPHX2KDM4ELMNA
SCHEMBL31296900 0.73 LMNA (0.50) KDM4ELMNAMAPTALOX15MEN1
SCHEMBL19229905 0.72 GRM1 (0.39) SLC6A3GRM1KDM4ELMNAMAPT
SCHEMBL384569 0.71 SLC6A3 (0.39) SLC6A3SLC6A4TSHRGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349552-A TREATMENT OF CANCER FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-09-14 US claimed
EP-0010941-B1 5-FLUOROURACIL DERIVATIVES, PREPARATION THEREOF AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-12 EP claimed
EP-0010941-A1 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-14 EP claimed