SCHEMBL31561609

SCHEMBL31561609

Cc1ccccc1CC(C)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.46
▸ PGR P06401 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PPARG P37231 2/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CTBP2 P56545 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7629121 0.84 KDM4E (0.53) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL19295493 0.84 KDM4E (0.53) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL19295494 0.84 KDM4E (0.53) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL27851029 0.80 PPARG (0.44) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL31112170 0.80 PPARG (0.44) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL9817764 0.80 PPARG (0.44) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL363390 0.79 PPARG (0.43) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL15047824 0.79 PPARG (0.43) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL7621562 0.79 PPARG (0.47) ALDH1A1HPGDKDM4EPPARGPPARA
SCHEMBL8728688 0.78 MDM2 (0.66) ALDH1A1HPGDKDM4EPGRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798058-A Preparation method of alpha-alkyl ketone derivative 浙江工业大学 2025-04-11 — — CN disclosed
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