SCHEMBL11239464

SCHEMBL11239464

COC(=O)[C]1CC2CCC1C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.53
SLC6A4 P31645 4/20 0.50
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11245895 0.81 SLC6A3 (0.40) SLC6A3SLC6A4MAPTTSHRHSD17B10
SCHEMBL654652 0.81 SLC6A3 (0.40) SLC6A3SLC6A4KMT2A
SCHEMBL11244400 0.80 SLC6A3 (0.39) SLC6A3SLC6A4MAPTTSHRHSD17B10
SCHEMBL384569 0.75 SLC6A3 (0.39) SLC6A3SLC6A4TSHR
SCHEMBL2286519 0.70 SLC6A3 (0.56) SLC6A3SLC6A4TSHRHSD17B10ALDH1A1
SCHEMBL6762602 0.70 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL15586501 0.69 SLC6A3 (0.46) SLC6A3SLC6A4TSHRHSD17B10SMN1; SMN2
SCHEMBL19807403 0.69 KCNH2 (0.46) SLC6A3SLC6A4CHRNB2CHRNA4TSHR
SCHEMBL31332791 0.69 SLC6A3 (0.42) SLC6A3SLC6A4TSHR
SCHEMBL27589682 0.69 SLC6A3 (0.42) SLC6A3SLC6A4

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