SCHEMBL9340916

SCHEMBL9340916

CCCCCC1CCC(CCc2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
MAOB P27338 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
MAOA P21397 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MOGAT2 Q3SYC2 1/20 0.35

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
SCHEMBL9340908 1.00 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9336833 0.99 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL10594635 0.99 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9340683 0.99 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL10594632 0.99 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9336872 0.99 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9340690 0.99 CETP (0.38) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9340776 0.96 CETP (0.37) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9472034 0.96 CETP (0.37) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9340323 0.96 CETP (0.39) CETPMAOBPTGES2MAOAHCRTR1

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 2 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