SCHEMBL29132468

SCHEMBL29132468

C=CC(=O)OCCO.O=C(O)/C=C\C(=O)OCCO

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.73
▸ HCAR2 Q8TDS4 9/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ HIF1A Q16665 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HPGD P15428 1/20 0.46
▸ THRB P10828 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ATM Q13315 1/20 0.39

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
Fumaric Acid SCHEMBL30592706 0.96 TSHR (0.79) TSHRHCAR2ALDH1A1TP53HIF1A
Maleic Acid SCHEMBL956148 0.96 TSHR (0.79) TSHRHCAR2ALDH1A1TP53HIF1A
Fumaric Acid SCHEMBL956152 0.96 TSHR (0.79) TSHRHCAR2ALDH1A1TP53HIF1A
SCHEMBL29185571 0.93 TSHR (0.63) TSHRHCAR2ALDH1A1TP53HIF1A
SCHEMBL448685 0.90 TSHR (0.61) TSHRHCAR2ALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL29119551 0.90 TSHR (0.68) TSHRHCAR2ALDH1A1TP53HIF1A
SCHEMBL448684 0.90 TSHR (0.61) TSHRHCAR2ALDH1A1TP53HIF1A
SCHEMBL4147710 0.90 TSHR (0.83) TSHRHCAR2ALDH1A1TP53HIF1A
SCHEMBL8892905 0.90 TSHR (0.61) TSHRHCAR2ALDH1A1TP53HIF1A
SCHEMBL608165 0.90 HCAR2 (0.65) TSHRHCAR2ALDH1A1TP53CYP3A4

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-117203187-A Compound, curable composition, and cured product 株式会社ADEKA 2023-12-08 — — CN disclosed
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