SCHEMBL8799314

SCHEMBL8799314

COC(=O)CCc1c(CCCCCCI)cccc1OCCCc1ccccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.49
LTB4R2 Q9NPC1 6/20 0.49
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PPARD Q03181 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C9 P11712 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.91 LTB4R (0.50) LTB4RLTB4R2ALDH1A1LMNAPPARD
SCHEMBL8464377 0.88 LTB4R (0.53) LTB4RLTB4R2PPARDCYP2C9MAPT
SCHEMBL6760695 0.87 LTB4R (0.57) LTB4RLTB4R2CYP2C9
SCHEMBL8799461 0.86 LTB4R (0.48) LTB4RLTB4R2ALDH1A1LMNAPPARD
SCHEMBL8799635 0.84 CYP4F2 (0.49) LTB4RLTB4R2CYP2C9
SCHEMBL8799308 0.82 LTB4R (0.45) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8799655 0.82 LTB4R (0.44) LTB4RLTB4R2ALDH1A1LMNAHDAC1
SCHEMBL8799585 0.81 LTB4R (0.43) LTB4RLTB4R2
SCHEMBL8799535 0.80 LTB4R (0.70) LTB4RLTB4R2
SCHEMBL8463994 0.78 LTB4R (0.54) LTB4RLTB4R2PPARDCYP2C9CNR1

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