SCHEMBL22973341

SCHEMBL22973341

Cc1cccc2c1C(C)(C)C(=O)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
PDK4 Q16654 3/20 0.36
DAO P14920 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
HTT P42858 2/20 0.34
PDE7A Q13946 1/20 0.34
CNR1 P21554 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CYP1A2 P05177 2/20 0.33
CD44 P16070 1/20 0.33
CYP2A6 P11509 1/20 0.33
CCR2 P41597 1/20 0.33
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5677134 0.76 PDK2 (0.50) PDK2PDK4PDK1PDK3HTT
SCHEMBL25629793 0.70 ACHE (0.38) PDK2PDK4HTTCA1CA2
SCHEMBL883417 0.69 DAO (0.43) DAOHTTCA1CA2CA7
SCHEMBL17084888 0.68 PDK2 (0.43) PDK2PDK4PDK1PDK3HTT
SCHEMBL2264510 0.67 PDK2 (0.62) PDK2PDK4DAOPDK1PDK3
SCHEMBL24933869 0.65 PDK2 (0.41) PDK2DAOHTTCYP1A2ALDH1A1
SCHEMBL29638873 0.64 MEN1 (0.37) PDK2PDK4PDK1PDK3HTT
SCHEMBL28349484 0.64 CA1 (0.44) PDK2PDK4DAOHTTPDE7A
SCHEMBL2270532 0.64 PDK2 (0.53) PDK2PDK4DAOPDK1PDK3
SCHEMBL6251023 0.64 MEN1 (0.37) PDK2PDK4PDK1PDK3HTT

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
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 CN claimed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 CN claimed
WO-2024015137-A1 LAUNDRY DETERGENT COMPOSITION CONTAINING TWO GRAFT COPOLYMER THE PROCTER & GAMBLE COMPANY (US) 2024-01-18 WO disclosed
EP-3776570-A1 FRAGRANCE COMPOSITIONS AND USE THEREOF FOR IMPROVING SLEEP Takasago International Corporation (JP) 2021-02-17 EP disclosed
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 CN disclosed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 CN disclosed