SCHEMBL3632744

SCHEMBL3632744

Nc1cc(N)cc(C(=O)OCCCCCOC(=O)C=Cc2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c1.Nc1cc(N)cc(C(=O)OCCCCOC(=O)C=Cc2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 4/20 0.39
ABCC1 P33527 4/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL865370 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL679960 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL866919 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL866380 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL865371 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL866918 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL866210 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL866211 1.00 APP (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL864690 0.99 MAPT (0.40) APPMAPTKDM4EABCB1ABCC1
SCHEMBL864691 0.99 MAPT (0.40) APPMAPTKDM4EABCB1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed