SCHEMBL8772272

SCHEMBL8772272

CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)OC)c2)n1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.81
ALDH1A1 P00352 2/20 0.47
MTOR P42345 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PLIN1 O60240 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
PTGER2 P43116 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL8772280 1.00 LTB4R (0.81) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772287 1.00 LTB4R (0.81) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772238 0.90 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772246 0.90 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772252 0.90 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772162 0.85 LTB4R (0.59) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772173 0.85 LTB4R (0.59) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772190 0.83 LTB4R (0.56) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772178 0.83 LTB4R (0.56) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772186 0.83 LTB4R (0.56) 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