Crotonic Acid

Crotonic Acid

SCHEMBL9681122

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

nearest known ligand 0.68

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.68
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HCAR2 Q8TDS4 7/20 0.43
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.33
LMNA P02545 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
Crotonic Acid SCHEMBL9681135 1.00 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
Crotonic Acid SCHEMBL27635748 0.90 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Crotonic Acid SCHEMBL28089691 0.90 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Maleic Acid SCHEMBL956148 0.89 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Fumaric Acid SCHEMBL30592706 0.89 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Fumaric Acid SCHEMBL956152 0.89 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Crotonic Acid SCHEMBL21436776 0.88 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29132468 0.85 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL8850804 0.85 TSHR (0.86) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL10529480 0.85 TSHR (0.86) 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
US-5130395-A Butadiene and vinyl monomer copolymers PENFORD PRODUCTS COMPANY (US) 1992-07-14 US disclosed