SCHEMBL8891725

SCHEMBL8891725

CCCCCCCC[C@H](O)/C=C/c1cccc(C[C@@H](O)CCC(=O)O)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.66
ALDH1A1 P00352 3/20 0.61
MTOR P42345 1/20 0.61
PMP22 Q01453 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
KDM4E B2RXH2 1/20 0.61
PLIN1 O60240 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
PLIN5 Q00G26 1/20 0.61
ABHD5 Q8WTS1 1/20 0.61
PPARG P37231 2/20 0.43
GPR132 Q9UNW8 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.41
LMNA P02545 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
SCHEMBL8772137 1.00 LTB4R (0.66) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8891730 1.00 LTB4R (0.66) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL9235257 0.87 LTB4R (0.79) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL9235263 0.87 LTB4R (0.79) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL9239472 0.83 LTB4R (0.79) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8890563 0.80 LTB4R (0.57) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8890568 0.80 LTB4R (0.57) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772147 0.80 LTB4R (0.57) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772238 0.80 LTB4R (1.00) LTB4RALDH1A1MTORPMP22SMN1; SMN2
SCHEMBL8772252 0.80 LTB4R (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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