SCHEMBL28217653

SCHEMBL28217653

C=CC(=O)OCCC1(C)OC1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28217642 0.82 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1318364 0.77 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2132862 0.76 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17839038 0.75 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13383436 0.72 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4776559 0.71
SCHEMBL1318275 0.71 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3594948 0.71 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20505482 0.71 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27329533 0.71 TSHR (0.52) 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-103709827-B Ink-jet ink, lenticule, optical element and device 捷恩智株式会社 2018-05-01 CN disclosed