SCHEMBL9235263

SCHEMBL9235263

CCCCCCCCC(O)C=Cc1cccc(CC(O)CCCCO)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.79
ALDH1A1 P00352 2/20 0.79
MAPT P10636 2/20 0.79
MTOR P42345 1/20 0.79
PMP22 Q01453 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
ALOX15 P16050 1/20 0.79
NFKB1 P19838 1/20 0.79
KDM4E B2RXH2 1/20 0.79
PLIN1 O60240 1/20 0.79
GAA P10253 1/20 0.79
MAPK1 P28482 1/20 0.79
PLIN5 Q00G26 1/20 0.79
ABHD5 Q8WTS1 1/20 0.79
KCNH2 Q12809 1/20 0.35
PTGIR P43119 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33

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
SCHEMBL9235257 1.00 LTB4R (0.79) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL10511272 0.88 LTB4R (1.00) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL29462291 0.88 LTB4R (1.00) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL1894359 0.88 LTB4R (1.00) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL10511276 0.88 LTB4R (1.00) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL9237815 0.88 LTB4R (1.00) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL8891725 0.87 LTB4R (0.66) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL8772137 0.87 LTB4R (0.66) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL8891730 0.87 LTB4R (0.66) LTB4RALDH1A1MAPTMTORPMP22
SCHEMBL9235266 0.84 LTB4R (0.66) LTB4RALDH1A1MAPTMTORPMP22

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-0339046-B1 LEUKOTRIENE B 4 ANALOGS UPJOHN CO (US) 1995-02-15 EP claimed
EP-0339046-A1 LEUKOTRIENE B 4? ANALOGS. UPJOHN CO (US) 1989-11-02 EP claimed
WO-1988005045-A1 LEUKOTRIENE B4 ANALOGS THE UPJOHN COMPANY (US) 1988-07-14 WO claimed