SCHEMBL2921669

SCHEMBL2921669

COc1ccc(C(C(=O)c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.66
TDP1 Q9NUW8 1/20 0.66
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
PAX8 Q06710 1/20 0.58
ACP3 P15309 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.51
KLK7 P49862 3/20 0.51
CA1 P00915 1/20 0.50

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
SCHEMBL2922278 0.98 L3MBTL1 (0.69) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL16807286 0.94 NPSR1 (0.60) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL7560417 0.93 L3MBTL1 (0.66) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL16807279 0.88 HPGD (0.57) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL2528895 0.84 LMNA (0.67) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL1755267 0.84 L3MBTL1 (0.58) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL16781980 0.83 TDP1 (0.62) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL6642403 0.83 NPC1 (0.63) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL1791859 0.83 NPC1 (0.68) L3MBTL1TDP1CES2CES1NPC1
SCHEMBL7017619 0.83 ALDH1A1 (0.57) L3MBTL1TDP1CES2CES1NPC1

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
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed