SCHEMBL27666406

SCHEMBL27666406

COC(=O)c1ccc(O)c(Cl)c1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ TSHR P16473 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL10412578 0.79 LTA4H (0.46) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL4804791 0.77 TDP1 (0.47) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL2648411 0.76 CA12 (0.53) KDM4EHSD17B10TSHRLMNACA1
SCHEMBL30474373 0.74 CA12 (0.52) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL12316454 0.74 CA12 (0.52) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL4456195 0.74 CA12 (0.62) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL8844738 0.74 CA12 (0.57) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL4955520 0.74 TDP1 (0.54) KDM4EHSD17B10TSHRLMNATDP1
Dimethyl Phthalate SCHEMBL28487305 0.73 TDP1 (0.65) KDM4EHSD17B10TSHRLMNATDP1
SCHEMBL31522017 0.73 TDP1 (0.52) KDM4EHSD17B10TSHRLMNATDP1

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
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 — — CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 — — CN disclosed
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