SCHEMBL8772243

SCHEMBL8772243

CCCCCCCCC(O)C=Cc1cccc(C(O)CCCC(=O)OC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FPR2 P25090 6/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
PTGER2 P43116 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MTOR P42345 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PLIN1 O60240 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8772239 1.00 LTB4R (0.52) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8772138 1.00 LTB4R (0.52) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL9626537 0.93 NFKB1 (0.49) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8890568 0.88 LTB4R (0.57) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8772147 0.88 LTB4R (0.57) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8890563 0.88 LTB4R (0.57) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8849692 0.86 LTB4R (0.49) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8849684 0.86 LTB4R (0.49) LTB4RNFKB1NFKB2RELAFPR2
SCHEMBL8772204 0.84 LTB4R (0.55) LTB4RNFKB1ALDH1A1MTORPMP22
SCHEMBL8772227 0.84 LTB4R (0.55) LTB4RNFKB1ALDH1A1MTORPMP22

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 3 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