SCHEMBL4864907

SCHEMBL4864907

CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(F)c(F)c(F)c(NC34CC5CC(CC(C5)C3)C4)c2C1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.54
DPP4 P27487 5/20 0.54
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
EPHX2 P34913 4/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
FAAH O00519 1/20 0.32
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4860445 0.94 ANPEP (0.52) ANPEPDPP4CA12CA1CA2
SCHEMBL2481189 0.79 DPP4 (0.80) ANPEPDPP4CA1CA2NR1H2
SCHEMBL2477491 0.77 ANPEP (0.61) ANPEPDPP4NR1H2NR1H3FAAH
SCHEMBL2519233 0.76 ANPEP (0.57) ANPEPDPP4EPHX2NR1H2NR1H3
SCHEMBL4756155 0.76 CA12 (0.36) ANPEPDPP4CA12CA1CA2
SCHEMBL2477514 0.75 ANPEP (0.58) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL2479315 0.74 ANPEP (0.57) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL4756913 0.74 CA12 (0.40) ANPEPDPP4CA12CA1CA2
SCHEMBL2476501 0.73 ANPEP (0.59) ANPEPDPP4NR1H2NR1H3FAAH
SCHEMBL2989683 0.73 ANPEP (0.55) ANPEPDPP4EPHX2NR1H2NR1H3

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 1 patent. 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 disclosed