SCHEMBL8772181

SCHEMBL8772181

CCCCCCCCC(O)/C=C/c1cccc(OCC(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.54
PTGIR P43119 3/20 0.50
ALDH1A1 P00352 2/20 0.45
MTOR P42345 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PLIN1 O60240 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
PPARG P37231 3/20 0.41
GPR132 Q9UNW8 1/20 0.41
PPARA Q07869 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
SCHEMBL8891515 1.00 LTB4R (0.54) LTB4RPTGIRALDH1A1MTORPMP22
SCHEMBL8890030 0.89 LTB4R (0.50) LTB4RPTGIRALDH1A1MTORPMP22
SCHEMBL8890023 0.89 LTB4R (0.50) LTB4RPTGIRALDH1A1MTORPMP22
SCHEMBL8772177 0.79 LTB4R (0.64) LTB4RPTGIR
SCHEMBL8891845 0.79 LTB4R (0.64) LTB4RPTGIR
SCHEMBL8772147 0.79 LTB4R (0.57) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8890563 0.79 LTB4R (0.57) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8890568 0.79 LTB4R (0.57) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772137 0.77 LTB4R (0.66) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8891725 0.77 LTB4R (0.66) LTB4RALDH1A1MTORPMP22SMN1; SMN2

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