SCHEMBL8800191

SCHEMBL8800191

COC(=O)C(CCCCCCBr)Cc1ccccc1OCCCC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
TSHR P16473 1/20 0.36
FOLH1 Q04609 1/20 0.36
KMT2A Q03164 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
PTGS2 P35354 2/20 0.32

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
SCHEMBL8799004 0.90 PPARG (0.38) PPARGPTGESALOX5TSHRFOLH1
SCHEMBL8798512 0.83 PPARG (0.39) PPARGPTGESALOX5TSHRFOLH1
SCHEMBL8799665 0.80 ALDH1A1 (0.38) FOLH1KMT2AALDH1A1
SCHEMBL9119381 0.80 CYP4F2 (0.37) PPARGPTGESALOX5TSHRFOLH1
SCHEMBL8799424 0.79 MAPT (0.47) KMT2AL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL8800391 0.79 LTB4R (0.55)
SCHEMBL8463998 0.78 PPARG (0.48) PPARGPTGESALOX5TSHRFOLH1
SCHEMBL9121693 0.77 PPARG (0.53) PPARGPTGESALOX5TSHRFOLH1
SCHEMBL9119423 0.77 PPARG (0.53) PPARGPTGESALOX5TSHRFOLH1
SCHEMBL8464381 0.77 PPARG (0.47) PPARGPTGESALOX5TSHRFOLH1

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