SCHEMBL8377207

SCHEMBL8377207

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.33
KDM1A O60341 2/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4B Q07343 3/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 4/20 0.32
SPHK1 Q9NYA1 1/20 0.32
SGPL1 O95470 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL8411574 1.00 PDE4D (0.33) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL8411577 1.00 PDE4D (0.33) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL9061143 0.99 GAA (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL9060932 0.99 GAA (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL9062041 0.99 GAA (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL9062284 0.99 GAA (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL9061633 0.99 GAA (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL8379549 0.97 KDM1A (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL8411600 0.97 KDM1A (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7
SCHEMBL8411606 0.97 KDM1A (0.34) PDE4DKDM1ACYP2C9PDE4BTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0452460-B2 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1999-08-11 EP disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0381728-B1 DIFLUOROMETHYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed