SCHEMBL9580663

SCHEMBL9580663

COC(=O)c1ccc(Sc2ccc(C(=O)OC)c(C(=O)OC)c2)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
KDM4E B2RXH2 9/20 0.46
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 2/20 0.46
ATM Q13315 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ABL1 P00519 1/20 0.44
LMNA P02545 3/20 0.42

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
SCHEMBL7116621 0.90 GAA (0.54) CA12CA1CA2CA7CA9
SCHEMBL21184276 0.89 ABL1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL11316822 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL7119473 0.81 ALDH1A1 (0.53) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL9081273 0.79 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7620547 0.79 ALDH1A1 (0.50) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL18671395 0.78 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL1027768 0.78 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1GAAMAPT
SCHEMBL9323438 0.78 HSD17B10 (0.48) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL29733451 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187285-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1993-02-16 US disclosed
US-4994580-A Producing bis (alicyclic) thioethers ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4892965-A Producing bis (alicyclic) thioethers ETHYL CORPORATION (US) 1990-01-09 US disclosed
US-4866184-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1989-09-12 US disclosed
US-4798900-A Producing bis(alicyclic) thioethers ETHYL CORPORATION (US) 1989-01-17 US disclosed