SCHEMBL11206201

SCHEMBL11206201

C=C(C=C(C)C(=O)O)C(=O)O.C=CC(=O)OCCO

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11285889 0.87 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL10598599 0.84 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL1085237 0.83 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3448067 0.83 THRB (0.42) TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL28812158 0.82 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10936951 0.81 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A
Acetic Acid SCHEMBL11743292 0.81 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28827196 0.80 TSHR (0.38) TSHRTHRB
SCHEMBL610540 0.80 TSHR (0.38) TSHRTHRB
SCHEMBL28025601 0.80 TSHR (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050235-B1 AUTODEPOSITION COATING COMPOSITION CONTAINING A SELF-CROSSLINKABLE POLYMER UNION CARBIDE CORPORATION (US) 1983-11-02 EP disclosed
EP-0050236-A1 Crosslinkable autodeposition coating compositions UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed
US-4310450-A Crosslinkable autodeposition coating compositions containing a glycoluril derivative UNION CARBIDE CORPORATION (US) 1982-01-12 US disclosed