SCHEMBL5157748

SCHEMBL5157748

COc1ccc(Br)cc1-c1ccccc1OBOc1ccccc1-c1cc(Br)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.46
HTR7 P34969 3/20 0.45
HTT P42858 1/20 0.45
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
AMY1A P0DUB6 1/20 0.40
APP P05067 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL20321771 0.81 NPC1 (0.54) NPC1RAB9ATSHRHTR7HTT
SCHEMBL14125145 0.80 GAA (0.56) NPC1RAB9ATSHRHTTMGAM
SCHEMBL1528898 0.77 TDP1 (0.44) NPC1TSHRMGAMGAASI
SCHEMBL4908475 0.77 TDP1 (0.44) NPC1TSHRMGAMGAASI
SCHEMBL5155559 0.77 NPC1 (0.48) NPC1RAB9ATSHRHTR7HTT
SCHEMBL6267736 0.77 NPC1 (0.48) NPC1RAB9ATSHRHTR7HTT
SCHEMBL27537379 0.75 AKR1C3 (0.52) NPC1RAB9ATSHRHTR7HTT
SCHEMBL5157744 0.74 ENPP2 (0.50) NPC1RAB9ATSHRHTR7HTT
SCHEMBL5827764 0.74 NPC1 (0.63) NPC1RAB9ATSHRHTTMGAM
SCHEMBL1355299 0.73 NPC1 (0.50) NPC1RAB9ATSHRHTR7HTT

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
EP-1742916-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-17 EP disclosed
WO-2005108369-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-11-17 WO disclosed