SCHEMBL9337022

SCHEMBL9337022

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
PPARD Q03181 1/20 0.34
MAOB P27338 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 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
SCHEMBL9336620 1.00 CETP (0.36) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9471763 1.00 CETP (0.36) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9472261 1.00 CETP (0.36) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9340776 0.99 CETP (0.37) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9472034 0.99 CETP (0.37) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9336872 0.96 CETP (0.38) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL10594632 0.96 CETP (0.38) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL10594635 0.96 CETP (0.38) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9336833 0.96 CETP (0.38) CETPPPARGPPARAITGB3ITGA2B
SCHEMBL9340690 0.96 CETP (0.38) CETPPPARGPPARAITGB3ITGA2B

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