SCHEMBL27977972

SCHEMBL27977972

C=CC(=O)OC(=O)C(=C)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
OR51E2 Q9H255 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16029327 0.83 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27423428 0.82 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27345529 0.81 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27331005 0.80 TSHR (0.39) TSHR
SCHEMBL27337971 0.80 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27929291 0.80 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27339105 0.80 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27470654 0.80 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL115219 0.78 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19253750 0.76 TSHR (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102766416-B For the bag shield elongated material especially adhesive tape of bunch of cables and bag maintaining method 德莎欧洲公司 2017-03-01 CN claimed
CN-102421856-B UV-curable protective layer for thermoplastic substrates BAYER MATERIALSCIENCE AG 2014-08-27 CN disclosed