SCHEMBL11245895

SCHEMBL11245895

CC(C)OC(=O)[C]1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.40
SLC6A4 P31645 4/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA7 P43166 6/20 0.34
CA9 Q16790 6/20 0.34
CA14 Q9ULX7 6/20 0.34
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL11239464 0.81 SLC6A3 (0.53) SLC6A3SLC6A4ALDH1A1HSD17B10MAPT
SCHEMBL654652 0.79 SLC6A3 (0.40) SLC6A3SLC6A4KDM4EALOX15MEN1
SCHEMBL11244400 0.77 SLC6A3 (0.39) SLC6A3SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL13516923 0.75 ALDH1A1 (0.46) SLC6A3ALDH1A1KDM4EUSP2LMNA
SCHEMBL384569 0.72 SLC6A3 (0.39) SLC6A3SLC6A4TSHR
SCHEMBL13516924 0.69 ALDH1A1 (0.41) SLC6A3ALDH1A1KDM4EUSP2LMNA
SCHEMBL5918209 0.66 CYP19A1 (0.37) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL31296921 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2LMNAHSD17B10
SCHEMBL28243948 0.64 ALDH1A1 (0.40) SLC6A3ALDH1A1KDM4EUSP2LMNA
SCHEMBL20443748 0.64 CA12 (0.59) ALDH1A1LMNAMAPTCA12CA1

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