SCHEMBL11230780

SCHEMBL11230780

COCC1CC(=O)C(c2c(C)cccc2[N+](=O)[O-])C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
MAOA P21397 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
CACNA1F O60840 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL11222751 0.77 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL16954316 0.69 TSHR (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL27728762 0.67 HSD17B10 (0.53) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL18184998 0.65 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL27672054 0.64 SMN1; SMN2 (0.54) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6051840 0.64 TSHR (0.69) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL4564308 0.62 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL22089652 0.61 SMN1; SMN2 (0.50) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL104593 0.61 GPR35 (0.72) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL5460079 0.61 TSHR (0.64) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4257858-A REACTING A CYCLOHEXA-1,3-DIONE-2-DIAZIDE WITH AN ARYL COMPOUND UNION CARBIDE CORPORATION (US) 1981-03-24 US disclosed
US-4256657-A CYCLIZATION, ACID CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256658-A CYCLIZATION, BASIC CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256659-A Method of preparing 2-aryl-1,3-cyclohexanedione compounds UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4209532-A Biocidal 2-aryl-1,3-cyclohexane dione compounds and alkali metal and ammonium salts thereof UNION CARBIDE CORPORATION (US) 1980-06-24 US 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