SCHEMBL29315569

SCHEMBL29315569

C=C(C)C(=O)OCCC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.55
ALDH1A1 P00352 11/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL29315575 0.91 SOAT1 (0.62) SOAT1ALDH1A1HTTNPSR1NPY1R
SCHEMBL29315578 0.90 SOAT1 (0.64) SOAT1ALDH1A1HTTNPSR1NPY1R
SCHEMBL29315576 0.90 SOAT1 (0.64) SOAT1ALDH1A1HTTNPSR1NPY1R
SCHEMBL19713012 0.86 CHRM3 (0.54) ALDH1A1NPY1RNPY2R
SCHEMBL3251714 0.82 GOT1 (0.47) SOAT1ALDH1A1HTTNPSR1NPY1R
SCHEMBL29316037 0.82 HDAC1 (0.51) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL27523375 0.81 CYP1A2 (0.56) ALDH1A1HTTL3MBTL1MAPTKMT2A
SCHEMBL29315475 0.81 SOAT1 (0.53) SOAT1ALDH1A1HTTNPSR1NPY1R
SCHEMBL8053806 0.79 THRB (0.43) SOAT1ALDH1A1HTTNPY1RNPY2R
SCHEMBL26646514 0.76 SOAT1 (0.78) SOAT1ALDH1A1HTTNPSR1L3MBTL1

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