SCHEMBL629559

SCHEMBL629559

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL7225645 0.80 MAPT (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2059403 0.77 TSHR (0.40) TSHRHCAR2
SCHEMBL2086712 0.75 CA1 (0.33)
SCHEMBL4953905 0.75 TDP1 (0.39) TSHR
SCHEMBL5872657 0.71 TSHR (0.34) TSHR
SCHEMBL5872641 0.70 NAAA (0.43) TSHRHCAR2
SCHEMBL5860646 0.70
SCHEMBL5428033 0.69 TSHR (0.33) TSHRHCAR2
SCHEMBL1788899 0.68 LMNA (0.35) TSHR
SCHEMBL2822436 0.67 TSHR (0.39) TSHRHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed