SCHEMBL8772164

SCHEMBL8772164

CCCCCCCCC(O)C=Cc1cccc(C(O)c2cccc(C(=O)O)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.73
PTGER4 P35408 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MTOR P42345 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PLIN1 O60240 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 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
SCHEMBL8772149 1.00 LTB4R (0.73) LTB4RPTGER4ALDH1A1MTORPMP22
SCHEMBL8772162 0.89 LTB4R (0.59) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772173 0.89 LTB4R (0.59) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772238 0.84 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772246 0.84 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772252 0.84 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772225 0.82 LTB4R (0.69) LTB4RPTGER4ALDH1A1MTORPMP22
SCHEMBL8772212 0.82 LTB4R (0.69) LTB4RPTGER4ALDH1A1MTORPMP22
SCHEMBL8772230 0.82 LTB4R (0.69) LTB4RPTGER4ALDH1A1MTORPMP22
SCHEMBL8772177 0.79 LTB4R (0.64) LTB4RPTGER4

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