SCHEMBL3634797

SCHEMBL3634797

COc1cc(C(=O)Oc2ccc(C=CC(=O)OCCCCCCOC(=O)c3cc(N)cc(N)c3)cc2)ccc1OCCCCCC(F)(F)F.COc1cc(C(=O)Oc2ccc(C=CC(=O)OCCCCOC(=O)c3cc(N)cc(N)c3)cc2)ccc1OCCCCCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.45
ABCC1 P33527 4/20 0.45
ABCG2 Q9UNQ0 4/20 0.45
CA12 O43570 7/20 0.44
CA9 Q16790 7/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
ACHE P22303 4/20 0.43
BCHE P06276 3/20 0.43
FDPS P14324 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL865792 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL865791 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866020 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866019 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL19714653 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866849 0.99 CA12 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866850 0.99 CA12 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL878560 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866349 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866160 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9

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