SCHEMBL8413489

SCHEMBL8413489

CCOC(=O)CCc1c(CCCCCC(=O)OC)cccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARA Q07869 1/20 0.46
TBXAS1 P24557 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL8686236 0.86 LTB4R (0.59) LTB4RLTB4R2HDAC1HDAC6PPARA
SCHEMBL1207466 0.82 CYP4F2 (0.69) CYP4F2CYP4A11PPARAALDH1A1CYP1A2
SCHEMBL8414979 0.81 CYP4F2 (0.60) CYP4F2CYP4A11LTB4RLTB4R2PPARA
SCHEMBL19132009 0.80 CYP4F2 (0.59) CYP4F2CYP4A11HDAC1HDAC6PPARA
SCHEMBL200601 0.80 LTB4R (0.55) CYP4F2CYP4A11LTB4RLTB4R2CYP2C9
SCHEMBL200784 0.80 LTB4R (0.55) CYP4F2CYP4A11LTB4RLTB4R2CYP2C9
SCHEMBL13175314 0.79 LTB4R (0.54) CYP4F2CYP4A11LTB4RLTB4R2CYP2C9
SCHEMBL1689620 0.79 LTB4R (0.54) CYP4F2CYP4A11LTB4RLTB4R2CYP2C9
SCHEMBL9119987 0.79 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL9121586 0.79 LTB4R (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001877-A OF GIVEN FORMULA, WHICH ACTS AS AN ANTAGONIST OF LEUKOTRIENES; ADMINISTERING TO TREAT LEUKOTRIENE-B4 INDUCED DISEASES, SUCH AS ALLERGIES AND INFLAMMATION ONO PHARMACEUTICAL CO., LTD. (JP) 1999-12-14 US disclosed
US-5795914-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1998-08-18 US disclosed
EP-0405116-B1 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO (JP) 1995-12-06 EP disclosed
US-5457122-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
US-5256686-A Antiinflammatory agent, antiallergens ONO PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
US-5155104-A Phenylalkan(en)oic acid ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5086065-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-04 US disclosed
EP-0405116-A2 Phenylalkan(en)oic acids ONO PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed