SCHEMBL27993882

SCHEMBL27993882

C=CC(=O)OC(C)COC(=O)/C=C\C(=O)O.[H+]

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
HCAR2 Q8TDS4 10/20 0.46
HPGD P15428 2/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL3925810 0.98 TSHR (0.55) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL3925814 0.98 TSHR (0.55) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL3925808 0.92 TSHR (0.62) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL6840513 0.92 TSHR (0.62) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL30100815 0.88 HCAR2 (0.59) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL30268 0.88 HCAR2 (0.59) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL11785031 0.84 TSHR (0.68) TSHRHCAR2HPGDALDH1A1TP53
SCHEMBL30589890 0.84 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.84 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
Fumaric Acid SCHEMBL28457704 0.83 HCAR2 (0.53) TSHRHCAR2HPGDALDH1A1GAA

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-102811695-B One-pack dental adhesive material composition KURARAY NORITAKE DENTAL INC 2015-01-07 CN disclosed