SCHEMBL5157984

SCHEMBL5157984

C=CC(=O)OC[CH]CCOC(=O)C=C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 3/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.50
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ATM Q13315 1/20 0.30
APP P05067 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9420994 0.85 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30584 0.84
SCHEMBL3647636 0.84 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20183950 0.84 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8997902 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15347093 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL27563966 0.82 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7154955 0.81
SCHEMBL9614626 0.81 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27523038 0.79 TSHR (0.62) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745081-A1 POLYSILOXANE GRAFT POLYMER Wacker Chemie AG (DE) 2007-01-24 EP claimed
WO-2005108449-A1 POLYSILOXANE GRAFT POLYMER WACKER CHEMIE AG (DE) 2005-11-17 WO claimed
EP-1745081-A1 POLYSILOXANE GRAFT POLYMER Wacker Chemie AG (DE) 2007-01-24 EP disclosed
WO-2005108449-A1 POLYSILOXANE GRAFT POLYMER WACKER CHEMIE AG (DE) 2005-11-17 WO disclosed