SCHEMBL10729623

SCHEMBL10729623

Cc1cccc(C2=C(OC(=O)c3ccccc3)CC(C)(C)CC2=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL10732412 0.83 MAPK1 (0.40) KMT2AALDH1A1MAPTHPGDOPRM1
SCHEMBL10911480 0.81 MAPT (0.38) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10735327 0.78 KMT2A (0.51) KMT2AALDH1A1MAPTHPGDHTT
SCHEMBL11094467 0.77 ALDH1A1 (0.38) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL10736355 0.77 POLM (0.44) KMT2AALDH1A1OPRM1SMN1; SMN2LMNA
SCHEMBL10736443 0.76 KMT2A (0.49) KMT2AALDH1A1MAPTHPGDHTT
SCHEMBL10911015 0.74 STK10 (0.42) KMT2AALDH1A1MAPTHPGDHTT
SCHEMBL10911473 0.73 ALDH1A1 (0.34) KMT2AALDH1A1POLBHSD17B10OPRM1
SCHEMBL11331757 0.73 LMNA (0.35) KMT2AALDH1A1MAPTPOLBHTT
SCHEMBL10737255 0.72 KMT2A (0.36) KMT2AALDH1A1MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659372-A MITICIDE, MITE OVICIDE, AND HERBICIDES UNION CARBIDE CORPORATION (US) 1987-04-21 — — US disclosed
US-4613617-A Synergistic insecticidal compositions containing dione esters UNION CARBIDE CORPORATION (US) 1986-09-23 — — US disclosed
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
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