SCHEMBL8774870

SCHEMBL8774870

O=C(O)c1cccc(C2CCCCC2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
HNF4A P41235 1/20 0.45
KMO O15229 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CAMKK2 Q96RR4 8/20 0.43
ACMSD Q8TDX5 1/20 0.43
CAMKK1 Q8N5S9 6/20 0.43
PTPN5 P54829 2/20 0.42
PTPN2 P17706 1/20 0.42
DHODH Q02127 1/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL7213527 0.89 PARP1 (0.45) PTGDR2ALDH1A1LMNAMAPTMEN1
Ammonia Solution, Strong SCHEMBL29036685 0.86 PTGDR2 (0.51) PTGDR2KMOALDH1A1CAMKK2ACMSD
SCHEMBL4827153 0.86 CAMKK2 (0.46) PTGDR2KMOCAMKK2ACMSDCAMKK1
SCHEMBL50486 0.84 PTGDR2 (0.53) PTGDR2KMOALDH1A1CAMKK2ACMSD
SCHEMBL30730923 0.84 PTGDR2 (0.53) PTGDR2KMOALDH1A1CAMKK2ACMSD
SCHEMBL22371464 0.84 BCAT2 (0.45) MAPTMEN1KMT2APTPN5POLB
SCHEMBL27865683 0.84 POLB (0.46) PTGDR2KMOALDH1A1PTPN5PTPN2
SCHEMBL4827148 0.84 ALDH1A1 (0.51) PTGDR2HNF4AKMOALDH1A1LMNA
SCHEMBL2731512 0.83 ALDH1A1 (0.50) PTGDR2KMOALDH1A1LMNAMAPT
SCHEMBL10634933 0.82 CAMKK2 (0.44) PTGDR2KMT2ASMN1; SMN2CAMKK2ACMSD

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-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-1990015113-A1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed
WO-1990014406-A1 FLUORINATED CYCLOHEXYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 WO disclosed
WO-1990014405-A1 CHLOROBENZENE 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