SCHEMBL28217642

SCHEMBL28217642

C=CC(=O)OCC1(C)OC1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 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
SCHEMBL28217653 0.82 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28225105 0.81 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1316484 0.76 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4510184 0.75 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27984236 0.75 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27919820 0.75 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL384221 0.74 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13231924 0.74 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29042638 0.74 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13231938 0.74 TSHR (0.35) 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