SCHEMBL8772152

SCHEMBL8772152

COC(=O)c1cccc(C(O)Cc2cccc(Br)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.47
SLC7A5 Q01650 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PARP1 P09874 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CASR P41180 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CDK8 P49336 1/20 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
SCHEMBL8772160 1.00 LTB4R (0.47) LTB4RSLC7A5LOXL2PARP1CYP4F2
SCHEMBL8772170 0.88 LTB4R (0.48) LTB4RCYP4F2CYP4A11
SCHEMBL8772180 0.88 LTB4R (0.48) LTB4RCYP4F2CYP4A11
SCHEMBL6330723 0.77 LOXL2 (0.58) SLC7A5LOXL2PARP1CYP4F2CYP4A11
SCHEMBL8772207 0.77 LOXL2 (0.44) SLC7A5LOXL2CYP4F2CYP4A11CYSLTR1
SCHEMBL9359858 0.76 CYP4F2 (0.54) SLC7A5LOXL2CYP4F2CYP4A11ADRB2
SCHEMBL5662355 0.76 LOXL2 (0.51) SLC7A5LOXL2CYP4F2CYP4A11ADRB2
SCHEMBL8772253 0.74 NOS1 (0.44) LTB4RADRB2CYSLTR1CDK8
SCHEMBL8772241 0.74 NOS1 (0.44) LTB4RADRB2CYSLTR1CDK8
SCHEMBL8772280 0.74 LTB4R (0.81) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801061-A2 Leucotrien-B4 derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-15 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0477311-A1 NEW LEUCOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
WO-1991014676-A1 NEW LEUCOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed