SCHEMBL4919503

SCHEMBL4919503

C=CC(=O)OCC1(CC)COC(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL238971 0.88 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
Ether SCHEMBL238970 0.82 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28360983 0.81 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1357293 0.80 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8393354 0.79 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3290006 0.78 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1316484 0.77 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28040563 0.77 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13771703 0.77 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17850002 0.76 TSHR (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846526-B1 POWDER COATINGS DSM IP ASSETS BV (NL) 2017-03-01 EP disclosed
US-20080188583-A1 Powder Coatings DSM IP ASSETS B.V. (NL) 2008-08-07 US disclosed
CN-101111581-A Powder coating DSM IP ASSETS BV (NL) 2008-01-23 CN disclosed
EP-1846526-A1 POWDER COATINGS DSMIP Assets B.V. (NL) 2007-10-24 EP disclosed
WO-2006082080-A1 POWDER COATINGS DSM IP ASSETS B.V. (NL) 2006-08-10 WO disclosed