SCHEMBL8772207

SCHEMBL8772207

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
SLC7A5 Q01650 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL310067 0.78 RAB9A (0.44) LOXL2CYP4F2CYP4A11SLC7A5CYSLTR1
SCHEMBL8772160 0.77 LTB4R (0.47) LOXL2CYP4F2CYP4A11SLC7A5CYSLTR1
SCHEMBL8772152 0.77 LTB4R (0.47) LOXL2CYP4F2CYP4A11SLC7A5CYSLTR1
SCHEMBL30106103 0.76 ALDH1A1 (0.41) CYP4F2CYP4A11RAB9APOLBNPC1
SCHEMBL15709960 0.76 ALDH1A1 (0.41) CYP4F2CYP4A11RAB9APOLBNPC1
SCHEMBL7530273 0.75 LOXL2 (0.51) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL31346174 0.75 LOXL2 (0.56) LOXL2CYP4F2CYP4A11SLC7A5RAB9A
SCHEMBL1505193 0.75 LOXL2 (0.56) LOXL2CYP4F2CYP4A11SLC7A5RAB9A
SCHEMBL30107993 0.74 CDK8 (0.54) LOXL2RAB9ANPC1TSHRCDK8
SCHEMBL34953 0.73 TSHR (0.70) LOXL2CYP4F2CYP4A11SLC7A5RAB9A

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