SCHEMBL28022706

SCHEMBL28022706

Cc1ccc(-c2ccccc2C(=O)CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
BRS3 P32247 1/20 0.49
ABCB1 P08183 1/20 0.48
LTB4R2 Q9NPC1 2/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
GPR52 Q9Y2T5 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LPAR1 Q92633 2/20 0.46
CYP19A1 P11511 1/20 0.45
GAA P10253 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL28023427 0.89 GPR52 (0.56) FFAR1ABCB1LTB4R2GPR52ALDH1A1
SCHEMBL28022725 0.85 SLC6A4 (0.51) L3MBTL1FFAR1FFAR4BRS3LTB4R2
SCHEMBL9356318 0.80 KMT2A (0.47) TDP1L3MBTL1FFAR1FFAR4BRS3
SCHEMBL9542216 0.79 L3MBTL1 (0.46) TDP1L3MBTL1BRS3LTB4R2ALDH1A1
SCHEMBL9024443 0.78 GSK3B (0.52) TDP1L3MBTL1BRS3LTB4R2ALDH1A1
SCHEMBL12330301 0.77 NPC1 (0.70) TDP1L3MBTL1PLAAT3PLAAT5PLAAT2
SCHEMBL27889179 0.77 RECQL (0.62) L3MBTL1ABCB1GPR52ALDH1A1KMT2A
SCHEMBL372 0.77 KMT2A (0.60) BRS3LTB4R2ALDH1A1MEN1KMT2A
SCHEMBL31402608 0.77 KMT2A (0.60) BRS3LTB4R2ALDH1A1MEN1KMT2A
SCHEMBL28022702 0.76 HCAR2 (0.56) TDP1L3MBTL1FFAR1FFAR4BRS3

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