SCHEMBL8997283

SCHEMBL8997283

CCCCCC1COC(c2ccc(Cl)cc2)OC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
MAPK1 P28482 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL8997302 0.95 MAPK1 (0.41) GRM2MAPK1DRD2SLC6A3KDM4E
SCHEMBL7774631 0.93 GRM2 (0.39) GRM2MAPK1DRD2ALDH1A1SLC6A3
SCHEMBL7774626 0.93 GRM2 (0.39) GRM2MAPK1DRD2ALDH1A1SLC6A3
SCHEMBL7781466 0.92 GRM2 (0.38) GRM2MAPK1DRD2ALDH1A1SLC6A3
SCHEMBL7781470 0.92 GRM2 (0.38) GRM2MAPK1DRD2ALDH1A1SLC6A3
SCHEMBL8997289 0.89 SLC6A3 (0.43) GRM2MAPK1DRD2SLC6A3KDM1A
SCHEMBL7778850 0.88 MAPK1 (0.37) GRM2MAPK1DRD2SLC6A3KDM4E
SCHEMBL7778853 0.88 MAPK1 (0.37) GRM2MAPK1DRD2SLC6A3KDM4E
SCHEMBL7774310 0.87 MAPK1 (0.36) GRM2MAPK1DRD2SLC6A3KDM4E
SCHEMBL7774307 0.87 MAPK1 (0.36) GRM2MAPK1DRD2SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471831-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1996-08-14 EP disclosed
US-5389289-A Chemical and heat resistance MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0471831-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013947-A2 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed