SCHEMBL8799655

SCHEMBL8799655

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.44
LTB4R2 Q9NPC1 4/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FOLH1 Q04609 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL8799308 0.91 LTB4R (0.45) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8799422 0.86 MAPT (0.50) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8798860 0.84 CYP4F2 (0.46) LTB4RLTB4R2ALDH1A1LMNAFOLH1
SCHEMBL8800299 0.82 LTB4R (0.50) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8799314 0.82 LTB4R (0.49) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8799248 0.79 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL8799461 0.79 LTB4R (0.48) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8800182 0.78 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL8799232 0.78 CYP4A11 (0.51) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8798506 0.78 LTB4R (0.49) 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