SCHEMBL28540358

SCHEMBL28540358

C=CC(=O)OCC(CCCC)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.64
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 3/20 0.36
THRA P10827 1/20 0.35
CTSK P43235 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
SCHEMBL4384326 0.95 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL9551745 0.87 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL652535 0.85 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL990755 0.83 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL14829431 0.83 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11528743 0.81 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1480795 0.81 TSHR (0.87) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19456761 0.81 TSHR (0.87) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL23468886 0.80 TSHR (0.63) TSHRALDH1A1CYP3A4MAPK1HSD17B10
SCHEMBL2393951 0.80 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53

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-112567295-A Colored curable resin composition, color filter, and display device 东友精细化工有限公司 2021-03-26 CN disclosed