SCHEMBL9123718

SCHEMBL9123718

CCCCCCC(F)COc1ccc(C(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
MAPT P10636 4/20 0.51
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
PLA2G4B P0C869 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 4/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL9417085 0.87 LMNA (0.60) MAPTTSHRPLA2G4BALDH1A1LMNA
SCHEMBL9574365 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53
SCHEMBL9417076 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53
SCHEMBL8496739 0.86 MAPT (0.55) MAPTTSHRGAAPLA2G4BLMNA
SCHEMBL9416946 0.86 MAPT (0.55) MAPTTSHRGAAPLA2G4BLMNA
SCHEMBL9574428 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53
SCHEMBL8457408 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53
SCHEMBL9574345 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53
SCHEMBL8457405 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53
SCHEMBL9574307 0.86 PLA2G4B (0.65) TSHRPLA2G4BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428720-B1 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK PATENT GMBH (DE) 1995-03-22 EP disclosed
US-5393459-A Optically active compounds, and a liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-28 US disclosed
EP-0428720-A1 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1991-05-29 EP disclosed
WO-1990013611-A2 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-15 WO disclosed