SCHEMBL11128277

SCHEMBL11128277

CC(=O)OC1=C(c2ccc(C)cc2C)C(=O)C2CCC1C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 5/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAOB P27338 3/20 0.32
▸ ALPL P05186 2/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HPGD P15428 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
SCHEMBL10732134 1.00 SLC6A3 (0.35) SLC6A3MAPTGAALMNATSHR
SCHEMBL10900941 0.80 LMNA (0.35) MAPTGAALMNATSHRMAOB
SCHEMBL12116218 0.75 CNR1 (0.35) SLC6A3MAPTGAALMNAPDE4A
SCHEMBL10238221 0.74 — —
SCHEMBL17376700 0.74 NR3C1 (0.32) MAPTLMNATSHRMAPK1
SCHEMBL17376701 0.74 NR3C1 (0.32) MAPTLMNATSHRMAPK1
SCHEMBL18971261 0.73 SLC6A3 (0.37) SLC6A3MAPTMAPK1HPGD
SCHEMBL12116226 0.73 SLC6A3 (0.37) SLC6A3MAPTMAPK1HPGD
SCHEMBL15821591 0.73 SLC6A3 (0.35) SLC6A3TSHR
SCHEMBL13220572 0.70 SLC6A3 (0.41) SLC6A3MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4422870-A MITICIDE, MITE OVICIDE, HERBICIDE UNION CARBIDE CORPORATION (US) 1983-12-27 — — US disclosed
EP-0007243-B1 2-ARYL-1,3-CYCLOHEXANEDIONE COMPOUNDS AND ALKALI METAL SALTS, AMMONIUM SALTS AND ENOL ESTERS THEREOF, COMPOSITION AND METHOD OF CONTROLLING ACARINA ECTOPARASITES ON WARMBLOODED ANIMALS UNION CARBIDE CORPORATION (US) 1982-11-17 — — EP disclosed
EP-0007243-A1 2-Aryl-1,3-cyclohexanedione compounds and alkali metal salts, ammonium salts and enol esters thereof, composition and method of controlling acarina ectoparasites on warmblooded animals UNION CARBIDE CORPORATION (US) 1980-01-23 — — EP disclosed
US-4175135-A Method of controlling acarina ectoparasites on warmblooded animals by orally administering to the animal an ectoparasitically effective amount of a 2-aryl-1,3-cyclohexanedione compound, and alkali metal salts, ammonium salts and enol esters thereof UNION CARBIDE CORPORATION (US) 1979-11-20 — — US disclosed
Send feedback