SCHEMBL9340461

SCHEMBL9340461

CCCC[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 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
MAOA P21397 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.34
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 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
SCHEMBL9340468 1.00 CETP (0.37) CETPHRH3MAOBPTGES2MAOA
SCHEMBL9472034 0.96 CETP (0.37) CETPHRH3MAOBPTGES2MAOA
SCHEMBL9340776 0.96 CETP (0.37) CETPHRH3MAOBPTGES2MAOA
SCHEMBL9340314 0.96 CETP (0.39) CETPHRH3MAOBPTGES2MAOA
SCHEMBL9340323 0.96 CETP (0.39) CETPHRH3MAOBPTGES2MAOA
SCHEMBL9472261 0.95 CETP (0.36) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9471763 0.95 CETP (0.36) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9336620 0.95 CETP (0.36) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL9337022 0.95 CETP (0.36) CETPMAOBPTGES2MAOAHCRTR1
SCHEMBL10594446 0.94 CETP (0.38) CETPHRH3MAOBPTGES2MAOA

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