SCHEMBL28022704

SCHEMBL28022704

COc1ccccc1-c1ccccc1C(CC=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
ATM Q13315 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR7 P34969 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.39
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL3963434 0.78 KMT2A (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL23166469 0.76 MEN1 (0.65) MEN1KMT2AL3MBTL1OPRM1HTT
SCHEMBL27891808 0.74 IDO1 (0.40) MEN1KMT2AIDO1TDO2L3MBTL1
SCHEMBL17754979 0.73 CA1 (0.44) KMT2AIDO1TDO2L3MBTL1POLB
SCHEMBL8506775 0.72 CCNB2 (0.48) L3MBTL1HTR1AKDM4EALDH1A1LMNA
SCHEMBL6698808 0.71 ACP3 (0.53) MEN1KMT2AL3MBTL1HTTNPSR1
SCHEMBL68782 0.71 HTR2A (0.46) L3MBTL1HTR2AKDM4ECYP2D6CYP2C19
SCHEMBL27891817 0.71 TAAR1 (0.42) MEN1KMT2AIDO1TDO2L3MBTL1
SCHEMBL28669118 0.71 MEN1 (0.47) MEN1KMT2AL3MBTL1ATMHTT
SCHEMBL13232511 0.70 APP (0.48) MEN1KMT2AIDO1TDO2AKR1C3

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