SCHEMBL8559834

SCHEMBL8559834

O=C(O)C(=O)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
LTB4R2 Q9NPC1 8/20 0.44
BCAT2 O15382 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 1/20 0.41
BRS3 P32247 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
LPAR1 Q92633 1/20 0.40

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
SCHEMBL365731 0.86 LTB4R2 (0.57) CES2CES1LTB4R2FOLH1BRS3
SCHEMBL29502712 0.86 LTB4R2 (0.57) CES2CES1LTB4R2FOLH1BRS3
SCHEMBL27347541 0.82 FOLH1 (0.54) CES2CES1LTB4R2BCAT2CHRNB2
SCHEMBL1041339 0.82 CES2 (0.54) CES2CES1LTB4R2BCAT2CHRNB2
SCHEMBL547673 0.82 BCAT2 (0.63) BCAT2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5099361 0.81 SLC6A3 (0.49) CES2CES1LTB4R2CHRNB2CHRNB4
SCHEMBL5902171 0.81 BCAT2 (0.65) CES2CES1LTB4R2BCAT2CHRNB2
SCHEMBL562 0.78 SLC6A3 (0.68) LTB4R2KMT2ATSHRBRS3
SCHEMBL29390423 0.78 SLC6A3 (0.68) LTB4R2KMT2ATSHRBRS3
SCHEMBL8916346 0.78 SLC6A3 (0.48) CES2CES1LTB4R2BCAT2CHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603001-B1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1998-08-26 EP disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP disclosed