SCHEMBL9119992

SCHEMBL9119992

COC(=O)CCCCCCOc1ccccc1CC(CCCCCCO)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
PPARA Q07869 2/20 0.47
CNR2 P34972 2/20 0.40
PPARD Q03181 1/20 0.39
LTB4R Q15722 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPRC P08575 2/20 0.36
FOLH1 Q04609 1/20 0.36
PTPN13 Q12923 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9121594 1.00 PPARG (0.53) PPARGPPARACNR2PPARDLTB4R
SCHEMBL9119423 1.00 PPARG (0.53) PPARGPPARACNR2PPARDLTB4R
SCHEMBL9119193 1.00 PPARG (0.53) PPARGPPARACNR2PPARDLTB4R
SCHEMBL9121693 1.00 PPARG (0.53) PPARGPPARACNR2PPARDLTB4R
SCHEMBL8463998 0.97 PPARG (0.48) PPARGPPARACNR2PPARDPTGES
SCHEMBL9122739 0.88 PPARD (0.44) PPARGPPARDPTGESALOX5TSHR
SCHEMBL8464381 0.87 PPARG (0.47) PPARGPPARACNR2PPARDPTGES
SCHEMBL8799678 0.85 PPARG (0.37) PPARGPPARAPPARDPTGESALOX5
SCHEMBL8799004 0.85 PPARG (0.38) PPARGPPARDPTGESALOX5TSHR
SCHEMBL9119381 0.83 CYP4F2 (0.37) PPARGPPARAPPARDPTGESALOX5

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
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed