SCHEMBL6533607

SCHEMBL6533607

CCOCCn1cccc1-c1noc(C(C)CC(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
FFAR1 O14842 3/20 0.34
PPARD Q03181 5/20 0.33
PPARA Q07869 5/20 0.33
ACACB O00763 7/20 0.32
S1PR1 P21453 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HCAR3 P49019 1/20 0.31
TSHR P16473 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL6325563 0.79 MITF (0.51) FFAR1TSHR
SCHEMBL6533171 0.68 HCAR2 (0.33) FFAR1S1PR1HCAR2DPP4DPP7
SCHEMBL6472559 0.66 ACACB (0.60) FFAR1PPARDPPARAACACBS1PR1
SCHEMBL10312539 0.63 HCAR2 (0.51) S1PR1HCAR2TSHR
SCHEMBL6333227 0.63 ALDH1A1 (0.54) FFAR1TSHR
SCHEMBL563100 0.63 PPARD (0.54) FFAR1PPARDPPARAACACBHCAR2
SCHEMBL22842957 0.59 L3MBTL1 (0.54) EPHX2TSHRNR1H2NR1H3
SCHEMBL4548425 0.59 HCAR2 (0.49) FFAR1PPARDPPARAHCAR2
SCHEMBL6334787 0.59 ZAP70 (0.32) FFAR1HCAR2
SCHEMBL4250812 0.59 HCAR3 (0.49) EPHX2HCAR3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed