SCHEMBL10596755

SCHEMBL10596755

CCCCCCCCCc1ccc(OC)c(C(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.66
PPARG P37231 1/20 0.66
KAT8 Q9H7Z6 2/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMPD1 P17405 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
LTA4H P09960 1/20 0.48

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
SCHEMBL1415515 0.94 PPARG (0.57) PPARAPPARGKAT8CYP1A2CYP3A4
SCHEMBL11731466 0.88 PPARA (0.79) PPARAPPARGKAT8CYP1A2CYP3A4
SCHEMBL2950901 0.88 DRD2 (0.50) PPARAPPARG
SCHEMBL15173757 0.87 PPARA (0.64) PPARAPPARGKAT8CYP1A2CYP3A4
SCHEMBL15174134 0.85 PPARA (0.61) PPARAPPARGKAT8CYP1A2CYP3A4
SCHEMBL10597931 0.82 PPARA (0.62) PPARAPPARGKAT8SMPD1
SCHEMBL14398158 0.82 PPARA (0.69) PPARAPPARGKAT8CYP1A2CYP3A4
SCHEMBL3808251 0.81 CYP4F2 (0.45) PPARAPPARGCYP1A2CYP3A4
SCHEMBL20503254 0.81 PPARA (0.57) PPARAPPARGKAT8
SCHEMBL18782458 0.81 DRD2 (0.48) CYP3A4

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
CN-116947618-B Novel beta-diketone compound and preparation method and application thereof 重庆康普化学工业股份有限公司 2025-03-11 CN claimed
CN-116947618-A Novel beta-diketone compound and preparation method and application thereof 重庆康普化学工业股份有限公司 2023-10-27 CN claimed
CN-116947618-B Novel beta-diketone compound and preparation method and application thereof 重庆康普化学工业股份有限公司 2025-03-11 CN disclosed
CN-116947618-A Novel beta-diketone compound and preparation method and application thereof 重庆康普化学工业股份有限公司 2023-10-27 CN disclosed
EP-0166151-B1 NOVEL EXTRACTANTS AND METHOD FOR THE RECOVERY OF PALLADIUM AlliedSignal Inc. (US) 1989-05-03 EP disclosed
US-4705896-A Novel extractants for the recovery of palladium ALLIED CORPORATION (US) 1987-11-10 US disclosed
US-4578250-A ACIDIFICATION OF SOLUTION, THEN SOLVENT EXTRACTION WITH PHENYL OXIME ALLIED CORPORATION (US) 1986-03-25 US disclosed
EP-0166151-A1 Novel extractants and method for the recovery of palladium AlliedSignal Inc. (US) 1986-01-02 EP disclosed