SCHEMBL10729870

SCHEMBL10729870

Cc1ccc(C2=C(OC(=O)c3cccc([N+](=O)[O-])c3)CC(C)(C)CC2=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX5 P09917 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ HTT P42858 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL11093637 0.79 BRD4 (0.38) MAPTSMN1; SMN2THRBCYP2C19ALDH1A1
SCHEMBL10913686 0.78 FAAH (0.34) MAPTSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL11098282 0.77 BRD4 (0.37) MAPTSMN1; SMN2THRBCYP2C19ALDH1A1
SCHEMBL10735397 0.74 KDM4E (0.37) MAPTSMN1; SMN2THRBCYP2C19ALDH1A1
SCHEMBL11098604 0.74 BRD4 (0.35) MAPTNPC1SMN1; SMN2RAB9ATHRB
SCHEMBL11094187 0.73 MAPK1 (0.35) MAPTSMN1; SMN2THRBCYP2C19ALDH1A1
SCHEMBL11097162 0.73 BRD4 (0.40) MAPTNPC1SMN1; SMN2RAB9ATHRB
SCHEMBL10911543 0.72 ALDH1A1 (0.36) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL11094830 0.72 KDM4E (0.38) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11098815 0.72 TP53 (0.35) MAPTNPC1SMN1; SMN2THRBALDH1A1

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-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
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