SCHEMBL28860367

SCHEMBL28860367

O=C(Oc1ccccc1)Oc1ccccc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH1 P35367 10/20 0.45
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL5478146 0.93 HPGD (0.50) HPGDSMN1; SMN2HRH1DRD2DRD1
SCHEMBL28375783 0.85 PARP1 (0.39) HRH1DRD2TSHR
SCHEMBL31105833 0.83 L3MBTL1 (0.43) HPGDTSHRL3MBTL1
SCHEMBL1230108 0.83 L3MBTL1 (0.43) HPGDTSHRL3MBTL1
SCHEMBL5478147 0.82 HPGD (0.50) HPGDSMN1; SMN2HRH1DRD2DRD1
SCHEMBL48078 0.81 ATM (0.55) HPGDCYP1A2CYP3A4CYP2C9L3MBTL1
SCHEMBL8060201 0.80 SRD5A2 (0.58) L3MBTL1LMNA
SCHEMBL11607227 0.79 HPGD (0.47) HPGDSMN1; SMN2HRH1DRD2DRD1
SCHEMBL27644538 0.79 HPGD (0.51) HPGDSMN1; SMN2HRH1DRD2DRD1
SCHEMBL531084 0.79 PTGS2 (0.54) HPGDSMN1; SMN2HRH1DRD2DRD1

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-105324879-B The carbonate products containing xenyl used in nonaqueous electrolytic solution, the electric energy storage device for having used the nonaqueous electrolytic solution and the nonaqueous electrolytic solution 宇部兴产株式会社 2018-07-27 CN disclosed