SCHEMBL8799308

SCHEMBL8799308

COC(=O)CCc1c(CCCCCCO)cccc1OCc1ccccc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.45
LTB4R2 Q9NPC1 4/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
DHODH Q02127 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
FOLH1 Q04609 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8800299 0.92 LTB4R (0.50) LTB4RLTB4R2ALDH1A1LMNADHODH
SCHEMBL8799655 0.91 LTB4R (0.44) LTB4RLTB4R2ALDH1A1LMNADHODH
SCHEMBL8799232 0.84 CYP4A11 (0.51) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL9122731 0.83 LTB4R (0.48) LTB4RLTB4R2ALDH1A1HDAC1HDAC6
SCHEMBL8463994 0.83 LTB4R (0.54) LTB4RLTB4R2
SCHEMBL8799275 0.83 CYP4F2 (0.57) LTB4RLTB4R2ALDH1A1CYP4F2CYP4A11
SCHEMBL8799314 0.82 LTB4R (0.49) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL9119413 0.82 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL9121586 0.82 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL9121682 0.82 LTB4R (0.58) LTB4RLTB4R2

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
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed