SCHEMBL8772140

SCHEMBL8772140

O=C/C=C/C=C/c1cccc(Br)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 2/20 0.35
CTH P32929 1/20 0.35
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 2/20 0.31
UCHL1 P09936 1/20 0.31
USP5 P45974 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL8892427 1.00 USP9X (0.35) USP9XCTHSTAT3ALDH1A1TRPA1
SCHEMBL840646 0.92 ALDH1A1 (0.39) USP9XCTHSTAT3ALDH1A1TRPA1
SCHEMBL840645 0.92 ALDH1A1 (0.39) USP9XCTHSTAT3ALDH1A1TRPA1
SCHEMBL104173 0.76
SCHEMBL29792032 0.76
SCHEMBL8892483 0.75 CTH (0.36) USP9XCTHSTAT3ALDH1A1HPGD
SCHEMBL8772199 0.75 CTH (0.36) USP9XCTHSTAT3ALDH1A1HPGD
SCHEMBL22032508 0.73 NPC1 (0.64) ALDH1A1MAPK1MEN1NPC1RAB9A
SCHEMBL6226613 0.72 MEN1 (0.62) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL27626841 0.72 MEN1 (0.62) ALDH1A1TRPA1LMNAALOX5MAPK1

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