SCHEMBL8048832

SCHEMBL8048832

CCCc1cccc(B(O)O)c1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
EPHX2 P34913 1/20 0.38
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
CNR1 P21554 5/20 0.34
CNR2 P34972 4/20 0.34
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
NFKB1 P19838 1/20 0.33
PRCP P42785 1/20 0.33
EBP Q15125 1/20 0.33

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
SCHEMBL8743741 0.90 LIPG (0.56) LIPGCNR1CNR2
SCHEMBL16593855 0.85 EPHX2 (0.44) EPHX2DRD4DRD3DRD2DRD1
SCHEMBL28428231 0.82 CEL (0.34) LIPGSIGMAR1
SCHEMBL27788423 0.81 CNR1 (0.41) EPHX2DRD2CNR1CNR2
SCHEMBL29144848 0.80 EPHX2 (0.40) EPHX2DRD4DRD3DRD2DRD1
SCHEMBL7690233 0.79 GABRA1 (0.38) LIPGPRCP
SCHEMBL28015329 0.78 EPHX2 (0.39) EPHX2DRD4DRD3DRD2DRD1
SCHEMBL29255720 0.78 EPHX2 (0.42) EPHX2DRD4DRD3DRD2DRD1
SCHEMBL14236875 0.78 EPHX2 (0.40) EPHX2DRD4DRD3DRD2DRD1
SCHEMBL28155396 0.77 KMO (0.40) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022213751-A1 SELF-ALIGNED LIQUID CRYSTAL MEDIUM COMPOUND AND APPLICATION THEREOF 北京八亿时空液晶科技股份有限公司 2022-10-13 WO disclosed
EP-0525140-B1 LIQUID-CRYSTAL COMPOUNDS MERCK PATENT GMBH (DE) 2000-04-19 EP disclosed
WO-1993003113-A1 LIQUID-CRYSTAL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1993-02-18 WO disclosed
EP-0525140-A1 LIQUID-CRYSTAL COMPOUNDS MERCK PATENT GmbH (DE) 1993-02-03 EP disclosed
WO-1992013928-A1 LIQUID-CRYSTAL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-08-20 WO disclosed