SCHEMBL9340776

SCHEMBL9340776

CCCCC[C@H]1CC[C@H](C2CCC(CCc3ccc(OC(F)(F)C(F)F)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.37
MAOB P27338 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
MAOA P21397 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PPARD Q03181 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
SCHEMBL9472034 1.00 CETP (0.37) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9471763 0.99 CETP (0.36) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9337022 0.99 CETP (0.36) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9336620 0.99 CETP (0.36) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9472261 0.99 CETP (0.36) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9340461 0.96 CETP (0.37) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9340468 0.96 CETP (0.37) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9340908 0.96 CETP (0.38) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9340916 0.96 CETP (0.38) CETPMAOBPTGES2MAOAITGB3
SCHEMBL9336833 0.95 CETP (0.38) CETPMAOBPTGES2MAOAITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed