SCHEMBL4756913

SCHEMBL4756913

CC(C)c1cccc(C(C)C)c1-n1cc2c(F)c(F)c(NC34CC5CC(CC(C5)C3)C4)c(F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
ANPEP P15144 2/20 0.33
DPP4 P27487 2/20 0.33
EPHX2 P34913 2/20 0.31
CNR2 P34972 5/20 0.31
CNR1 P21554 3/20 0.31
ADORA3 P0DMS8 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
SCHEMBL4756155 0.94 CA12 (0.36) CA12CA1CA2CA7CA13
SCHEMBL4860445 0.77 ANPEP (0.52) CA12CA1CA2CA7CA13
SCHEMBL4756944 0.75 ANPEP (0.38) ANPEPDPP4
SCHEMBL4864907 0.74 ANPEP (0.54) CA12CA1CA2CA7CA13
SCHEMBL2928853 0.63 CNR2 (0.43) CA12CA1CA2CA7CA13
SCHEMBL11434665 0.61 EPHX2 (0.51) EPHX2
SCHEMBL24254827 0.59 CA12 (0.53) CA12CA1CA2CA7CA13
SCHEMBL15804603 0.59 BCHE (0.37) EPHX2CNR2CNR1
SCHEMBL17344416 0.57 EPHX2 (0.49) EPHX2
SCHEMBL11434672 0.57 EPHX2 (0.46) EPHX2CNR2

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
WO-2008155593-A2 PHTHALIMIDE DERIVATIVES FOR LABELING LIPID DROPLETS, AND A METHOD FOR VISUALIZATION OF CELLS AND/OR CELLULAR ORGANELLES AVICOR KUTATO (HU) 2008-12-24 WO claimed
WO-2008155593-A2 PHTHALIMIDE DERIVATIVES FOR LABELING LIPID DROPLETS, AND A METHOD FOR VISUALIZATION OF CELLS AND/OR CELLULAR ORGANELLES AVICOR KUTATO (HU) 2008-12-24 WO disclosed