SCHEMBL7820164

SCHEMBL7820164

[CH2]CC(O)Oc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
PPARA Q07869 3/20 0.49
PTPN7 P35236 1/20 0.47
AGXT P21549 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL16893876 0.79 PPARG (0.49) PPARGPPARAPTPN7AGXTCYP1A2
SCHEMBL194634 0.78 LMNA (0.42) PPARGPPARAALDH1A1SLC6A4
SCHEMBL9064518 0.78 CYP1A2 (0.48) PPARGPPARAPTPN7AGXTCYP1A2
SCHEMBL28481701 0.77 PPARG (0.49) PPARGPPARAPTPN7KMT2ATDP1
SCHEMBL16893750 0.75 PPARG (0.43) PPARGPPARAPTPN7KMT2ATDP1
SCHEMBL11746367 0.75 CYP1A2 (0.54) PPARGPPARAPTPN7AGXTCYP1A2
SCHEMBL5481622 0.73 PPARG (0.57) PPARGPPARAPTPN7AGXTCYP1A2
SCHEMBL5479117 0.73 PPARG (0.57) PPARGPPARAPTPN7AGXTCYP1A2
SCHEMBL20911140 0.72 CYP1A2 (0.50) PPARGPPARAPTPN7CYP1A2CYP2A6
SCHEMBL21131538 0.72 CYP1A2 (0.50) PPARGPPARAPTPN7CYP1A2CYP2A6

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-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed