Propyl Fumarate

Propyl Fumarate

SCHEMBL30853655

CCC/C(=C/C(=O)O)C(=O)O.CCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.69

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.69
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX5 P09917 1/20 0.35
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.30

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
Butyl Fumarate SCHEMBL31207800 0.85 HCAR2 (0.71) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL30853660 0.85 HCAR2 (0.71) HCAR2ATMMAPTRAB9ANPSR1
Fumaric Acid SCHEMBL28427665 0.85 TSHR (0.46) HCAR2NPSR1TSHRKDM4ELMNA
Propyl Fumarate SCHEMBL322229 0.83 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Propyl Fumarate SCHEMBL529074 0.83 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Propyl Fumarate SCHEMBL322230 0.83 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Hexyl Fumarate SCHEMBL30853649 0.82 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
Stearyl Fumaric Acid SCHEMBL29801553 0.82 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL30853661 0.82 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL30853651 0.82 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1

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-118050955-A Solder resist composition 株式会社KCC 2024-05-17 CN disclosed