SCHEMBL8414979

SCHEMBL8414979

CCOC(=O)CCCCCc1cccc(O)c1CCC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.60
CYP4A11 Q02928 3/20 0.60
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TBXAS1 P24557 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45

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
SCHEMBL19511502 0.85 CYP4F2 (0.55) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL1859513 0.84 CYP4F2 (0.78) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL27520483 0.84 CA12 (0.55) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL19511554 0.82 CYP4F2 (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL8413489 0.81 CYP4F2 (0.54) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL28072636 0.80 CYP4F2 (0.58) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL8566189 0.80 CNR1 (0.56) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL27903620 0.80 CYP4F2 (0.52) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL7722448 0.80 CYP4F2 (0.70) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL27501901 0.79 CYP4F2 (0.57) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6

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