SCHEMBL8411600

SCHEMBL8411600

CCCC[C@H]1CC[C@H](C2CCC(c3ccc(OC(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.34
CYP2C9 P11712 2/20 0.34
PDE4D Q08499 5/20 0.34
PDE4B Q07343 4/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SGPL1 O95470 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8379549 1.00 KDM1A (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL8411606 1.00 KDM1A (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL8411577 0.97 PDE4D (0.33) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL8411574 0.97 PDE4D (0.33) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL8377207 0.97 PDE4D (0.33) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL9060932 0.95 GAA (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL9062041 0.95 GAA (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL9062284 0.95 GAA (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL9061143 0.95 GAA (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7
SCHEMBL9061633 0.95 GAA (0.34) KDM1ACYP2C9PDE4DPDE4BTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452460-B2 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1999-08-11 EP disclosed
US-5456860-A Containing liquid crystal mixture based on dielectrically positive compounds which contain polar end group with specified lipophilicity parameter MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-10 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0450354-A2 Matrix-liquid crystal display MERCK PATENT GmbH (DE) 1991-10-09 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed