SCHEMBL8799461

SCHEMBL8799461

COC(=O)CCc1c(CCCCCCOS(C)(=O)=O)cccc1OCCCc1ccccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.48
LTB4R2 Q9NPC1 7/20 0.48
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.39
CNR2 P34972 1/20 0.38
PPARD Q03181 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL8799337 0.89 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8802026 0.89 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8800165 0.89 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8800004 0.89 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL9118392 0.89 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8466646 0.89 LTB4R (0.52) LTB4RLTB4R2CYP2C9
SCHEMBL8800299 0.87 LTB4R (0.50) LTB4RLTB4R2ALDH1A1LMNACYP2C9
SCHEMBL8799314 0.86 LTB4R (0.49) LTB4RLTB4R2ALDH1A1LMNACYP2C9
SCHEMBL8798963 0.86 LTB4R (0.48) LTB4RLTB4R2ALDH1A1CYP2C9PPARD
SCHEMBL8799885 0.85 CYP4F2 (0.46) LTB4RLTB4R2CYP2C9

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