SCHEMBL4593770

SCHEMBL4593770

C=CC(=O)OC(CCCCC)Oc1ccc2cc(C#Cc3ccc(OCCCCCCOc4ccc(C=CC(=O)OC)cc4OC)cc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.48
ACHE P22303 6/20 0.42
BCHE P06276 3/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
TOP2A P11388 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL4593766 1.00 FDPS (0.48) FDPSACHEBCHEMAPTHPGD
SCHEMBL4593767 0.84 FDPS (0.57) FDPSACHEBCHEMAPTHPGD
SCHEMBL4593774 0.84 FDPS (0.57) FDPSACHEBCHEMAPTHPGD
SCHEMBL2639472 0.75 FDPS (0.85) FDPSACHEBCHEMAPTALDH1A1
SCHEMBL2639470 0.75 FDPS (0.85) FDPSACHEBCHEMAPTALDH1A1
SCHEMBL28386773 0.73 FDPS (0.71) FDPSACHEBCHEMAPTALDH1A1
SCHEMBL5173870 0.73 FDPS (0.56) FDPSACHEBCHEMAPTHPGD
SCHEMBL18270975 0.73 FDPS (0.75) FDPSACHEBCHEMAPTHPGD
SCHEMBL7336967 0.72 APP (0.55) FDPSKDM4ESMN1; SMN2APP
SCHEMBL12279445 0.72 APP (0.55) FDPSKDM4ESMN1; SMN2APP

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-1187802-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2008-01-02 EP disclosed
EP-1187802-A1 LIQUID CRYSTAL COMPOUNDS Rolic AG (CH) 2002-03-20 EP disclosed
WO-2000063154-A1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2000-10-26 WO disclosed
EP-1046631-A1 Liquid crystalline compounds Rolic AG (CH) 2000-10-25 EP disclosed