SCHEMBL28338152

SCHEMBL28338152

C=CC(=O)OCOC(=O)C(C)=CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 5/20 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
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.36

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
SCHEMBL8631593 0.85 GLO1 (0.34) TSHRALDH1A1HSD17B10
SCHEMBL4345858 0.85 GLO1 (0.34) TSHRALDH1A1HSD17B10
SCHEMBL25431935 0.84 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27718503 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7560432 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15347586 0.82 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4328170 0.81 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5325148 0.81 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268400 0.80 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9875480 0.79 TSHR (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132381-B It is used to prepare the monomer mixture of dental material 义获嘉伟瓦登特公司 2019-11-19 CN claimed