SCHEMBL29315541

SCHEMBL29315541

C=C(C)C(=O)OCCCOC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.61
SCN2A Q99250 3/20 0.61
SCN3A Q9NY46 3/20 0.61
TSHR P16473 7/20 0.48
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29315542 0.97 SCN1A (0.61) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL29315548 0.96 SCN1A (0.60) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL29315544 0.96 SCN1A (0.60) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL6285566 0.94 SCN1A (0.59) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL645003 0.87 TSHR (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15713250 0.86 TSHR (0.53) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL194453 0.85 TSHR (0.55) SCN1ASCN2ASCN3ATSHRTDP1
SCHEMBL2532109 0.84 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL17036965 0.83 TSHR (0.50) TSHRTDP1L3MBTL1CYP3A4MAPK1
Methacrylic Acid SCHEMBL8063452 0.83 SCN1A (0.59) SCN1ASCN2ASCN3ATSHRTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed