SCHEMBL8464381

SCHEMBL8464381

COC(=O)CCCOc1ccccc1CC(CCCCCCI)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
TSHR P16473 1/20 0.37
PTPRC P08575 2/20 0.34
FOLH1 Q04609 1/20 0.34
PTPN13 Q12923 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8463998 0.90 PPARG (0.48) PPARGPPARAPPARDMAPTCNR2
SCHEMBL9119992 0.87 PPARG (0.53) PPARGPPARAPPARDMAPTCNR2
SCHEMBL9119193 0.87 PPARG (0.53) PPARGPPARAPPARDMAPTCNR2
SCHEMBL9121693 0.87 PPARG (0.53) PPARGPPARAPPARDMAPTCNR2
SCHEMBL9121594 0.87 PPARG (0.53) PPARGPPARAPPARDMAPTCNR2
SCHEMBL9119423 0.87 PPARG (0.53) PPARGPPARAPPARDMAPTCNR2
SCHEMBL8799325 0.83 ALDH1A1 (0.41) PPARGPPARDMAPTPTGESALOX5
SCHEMBL8799643 0.80 CYP4F2 (0.45) PPARGPTGESALOX5FOLH1ALDH1A1
SCHEMBL8799732 0.79 LTB4R (0.67)
SCHEMBL9122739 0.79 PPARD (0.44) PPARGPPARDMAPTPTGESALOX5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682662-B1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS HOFFMANN LA ROCHE (CH) 1999-08-18 EP disclosed
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
EP-0682662-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B 4? ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-11-22 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed
US-5457124-A Antiinflammatory agent HOFFMANN-LA ROCHE INC. (US) 1995-10-10 US disclosed
WO-1995015956-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-06-15 WO disclosed