SCHEMBL8774864

SCHEMBL8774864

O=C(O)c1ccccc1-c1ccccc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
BRS3 P32247 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACMSD Q8TDX5 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CAMKK1 Q8N5S9 2/20 0.43
CAMKK2 Q96RR4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
KMO O15229 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
SCHEMBL29029016 0.89 FOLH1 (0.46) PTGDR2PTGS2ALDH1A1LMNAMAPT
SCHEMBL4827148 0.89 ALDH1A1 (0.51) PTGDR2PTGS2ALDH1A1LMNAMAPT
SCHEMBL50486 0.86 PTGDR2 (0.53) PTGDR2ALDH1A1ACMSDCYP2C9CAMKK1
SCHEMBL30730923 0.86 PTGDR2 (0.53) PTGDR2ALDH1A1ACMSDCYP2C9CAMKK1
Ammonia Solution, Strong SCHEMBL29036685 0.84 PTGDR2 (0.51) PTGDR2ALDH1A1ACMSDCYP2C9CAMKK1
SCHEMBL2731512 0.84 ALDH1A1 (0.50) PTGDR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10951907 0.83 PTGDR2 (0.43) PTGDR2PTGS2ALDH1A1LMNAMAPT
Bicarbonate SCHEMBL11642792 0.82 PTGDR2 (0.49) PTGDR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10636710 0.82 PTGS2 (0.44) PTGDR2PTGS2ALDH1A1LMNABRS3
SCHEMBL4476575 0.82 PTGS2 (0.56) PTGDR2PTGS2

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
US-5637257-A LIQUID CRYSTAL DISPLAYING MERCK PATENT GESELLSCHAFT MLT BESCHRANKTER HAFTUNG (DE) 1997-06-10 US disclosed
EP-0456793-B1 HALOPHENYL SUBSTITUTED HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 1996-10-23 EP disclosed
EP-0533877-B1 FLUORO TOLANS AND LIQUID CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 1996-10-09 EP disclosed
EP-0445257-B1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1996-03-13 EP disclosed
US-5482653-A FOR LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-09 US disclosed
EP-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0394906-B1 Liquid crystalline composition MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0423520-B1 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GMBH (DE) 1995-08-02 EP disclosed
EP-0428666-B1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1991002043-A1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-02-21 WO disclosed
WO-1990015113-A1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed
WO-1990015114-A1 RING COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed
WO-1990015115-A1 FLUORINATED BIPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed
WO-1990014405-A1 CHLOROBENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 WO disclosed
WO-1990014406-A1 FLUORINATED CYCLOHEXYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 WO disclosed
EP-0394906-A2 Liquid crystalline composition MERCK PATENT GmbH (DE) 1990-10-31 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed