SCHEMBL3594948

SCHEMBL3594948

C=CC(=O)OCCC1(CC)CO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL27798588 0.90 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1356956 0.87 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL238971 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1318364 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28213334 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1357080 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1357125 0.78 THRB (0.49) TSHRALDH1A1THRB
Ether SCHEMBL238970 0.78 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3290006 0.77 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL798095 0.76 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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-20100021788-A1 POLYMER ELECTROLYTE COMPOSITE FILM, MEMBRANE-ELECTRODE ASSEMBLY AND FUEL CELL CANON KABUSHIKI KAISHA (JP) 2010-01-28 US disclosed
WO-2008143303-A1 POLYMER ELECTROLYTE COMPOSITE FILM, MEMBRANE-ELECTRODE ASSEMBLY AND FUEL CELL CANON KABUSHIKI KAISHA (JP) 2008-11-27 WO disclosed