SCHEMBL8772199

SCHEMBL8772199

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.36
USP9X Q93008 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.30
UCHL1 P09936 1/20 0.30
USP5 P45974 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
SCHEMBL8892483 1.00 CTH (0.36) CTHUSP9XALDH1A1HPGDSTAT3
SCHEMBL12747839 0.87 CTH (0.39) CTHUSP9XALDH1A1HPGDSTAT3
SCHEMBL8892427 0.75 USP9X (0.35) CTHUSP9XALDH1A1HPGDSTAT3
SCHEMBL8772140 0.75 USP9X (0.35) CTHUSP9XALDH1A1HPGDSTAT3
SCHEMBL9238875 0.75 ALDH1A1 (0.41) CTHUSP9XALDH1A1HPGD
SCHEMBL9236705 0.75 ALDH1A1 (0.41) CTHUSP9XALDH1A1HPGD
SCHEMBL9238873 0.75 ALDH1A1 (0.41) CTHUSP9XALDH1A1HPGD
SCHEMBL840645 0.74 ALDH1A1 (0.39) CTHUSP9XALDH1A1HPGDSTAT3
SCHEMBL840646 0.74 ALDH1A1 (0.39) CTHUSP9XALDH1A1HPGDSTAT3
SCHEMBL22778040 0.73 CTH (0.39) CTHUSP9XALDH1A1HPGDSTAT3

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