SCHEMBL28022702

SCHEMBL28022702

COc1cccc(-c2ccccc2C(=O)CCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
RAB9A P51151 3/20 0.54
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.52
FFAR1 O14842 4/20 0.51
FAAH O00519 1/20 0.51
LPAR1 Q92633 1/20 0.50
BRS3 P32247 1/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCB1 P08183 2/20 0.47

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
SCHEMBL6513919 0.83 KDM4E (0.54) RAB9AGAAKDM4ECDK4CCND1
SCHEMBL28023427 0.83 GPR52 (0.56) RAB9AGAANPC1FFAR1ALDH1A1
SCHEMBL496484 0.82 KDM4E (0.62) HCAR2RAB9AGAAKDM4EALDH1A1
SCHEMBL28022707 0.81 HCAR2 (0.52) HCAR2RAB9AGAAFFAR1FAAH
SCHEMBL8887143 0.80 GAA (0.59) GAAKDM4ECDK4CCND1ALDH1A1
SCHEMBL1515816 0.79 GAA (0.62) RAB9AGAAKDM4ENPC1CDK4
SCHEMBL28023330 0.78 NPC1 (0.54) RAB9ANPC1FFAR1FAAHKMT2A
SCHEMBL30285198 0.77 SLC6A3 (0.66) GAAKDM4ECDK4CCND1ALDH1A1
SCHEMBL4709256 0.77 BCAT2 (0.59) RAB9AGAAKDM4ENPC1CDK4
SCHEMBL7894667 0.77 GAA (0.57) GAAKDM4ECDK4CCND1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860803-B Biphenyl ketonic compound and its preparation method and application 暨南大学 2016-11-30 CN disclosed
CN-104860803-A Biphenyl compound and preparation method and application thereof UNIV JINAN 2015-08-26 CN disclosed