SCHEMBL531529

SCHEMBL531529

COc1ccc(OC)c(C(=O)N(C)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
HSD11B1 P28845 1/20 0.51
HSD17B1 P14061 3/20 0.51
HSD17B2 P37059 3/20 0.51
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
APP P05067 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ORAI1 Q96D31 1/20 0.49

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
SCHEMBL18816708 0.87 PLAU (0.54) L3MBTL1MAPTTP53ALDH1A1HSD17B1
SCHEMBL18816702 0.84 POLB (0.53) L3MBTL1MAPTHSD17B1HSD17B2TSHR
SCHEMBL529916 0.83 POLB (0.60) L3MBTL1HTTTP53RAB9AKDM4E
SCHEMBL28001824 0.81 HSP90AA1 (0.57) L3MBTL1MAPTHTTNPSR1ALDH1A1
SCHEMBL7511970 0.81 MAPT (0.62) MAPTHTTNPSR1TP53ALDH1A1
SCHEMBL18816716 0.79 PLAU (0.67) L3MBTL1MAPTTP53ALDH1A1HSP90AA1
SCHEMBL4833864 0.78 MAPT (0.58) MAPTHTTNPSR1ALDH1A1TSHR
SCHEMBL13850379 0.78 L3MBTL1 (0.53) L3MBTL1MAPTHTTNPSR1ALDH1A1
SCHEMBL529976 0.76 KDM4E (0.71) HTTNPSR1ALDH1A1HSD17B1HSD17B2
SCHEMBL5231122 0.76 KMT2A (0.61) L3MBTL1MAPTHTTNPSR1TP53

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed