SCHEMBL14439845

SCHEMBL14439845

CC(O)(C1Cc2ccccc2N1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 2/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
AR P10275 1/20 0.33
CYP2C19 P33261 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PNMT P11086 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL4441290 0.81 MAPT (0.49) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL3829799 0.81 MAPT (0.49) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL22417606 0.77 GAA (0.46) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL397465 0.77 GAA (0.46) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL26262448 0.77 GAA (0.46) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL28253303 0.75 GAA (0.44) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL11923533 0.71 GAA (0.41) GAAMAPTEPHX2BRD4CREBBP
SCHEMBL30681543 0.70 PNMT (0.56) GAAMAPTBRD4CREBBPAR
SCHEMBL13306140 0.66 GAA (0.46) GAAMAPTP2RX7BRD4CREBBP
SCHEMBL28533908 0.66 GAA (0.46) GAAMAPTP2RX7BRD4CREBBP

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
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed