SCHEMBL10912398

SCHEMBL10912398

CC1(C)CC(=O)C(c2ccc(F)cc2F)=C(OC(=O)c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10730081 0.72 KMT2A (0.40) KMT2AHPGDALOX15MAPTSMN1; SMN2
SCHEMBL10750603 0.70 OPRM1 (0.36) KMT2AHPGDMAPK1MAPTSMN1; SMN2
SCHEMBL10731415 0.70 HPGD (0.39) KMT2AHPGDALOX15MAPK1MAPT
SCHEMBL10735327 0.70 KMT2A (0.51) KMT2AHPGDRAB9AMAPK1MAPT
SCHEMBL11305228 0.67 KMT2A (0.36) KMT2AHPGDRAB9AMAPTNR1H4
SCHEMBL11305225 0.67 KMT2A (0.36) KMT2AHPGDRAB9AMAPTNR1H4
SCHEMBL10736180 0.67 L3MBTL1 (0.40) ALOX15MAPK1GAAL3MBTL1
SCHEMBL669388 0.67 SMN1; SMN2 (0.61) KMT2AHPGDRAB9AMAPK1MAPT
SCHEMBL11093534 0.67 CYP11B2 (0.40) KMT2AMAPTCYP1A2CYP2C19GAA
SCHEMBL11096652 0.66 CYP11B2 (0.39) KMT2AMAPTCYP1A2CYP2C19GAA

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-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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