SCHEMBL29315975

SCHEMBL29315975

C=CC(=O)OCCOC(=O)CC(O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.55
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 9/20 0.40
PPARA Q07869 7/20 0.40
MAPT P10636 2/20 0.40
MMP3 P08254 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5571468 0.81 THRB (0.82) THRBPKMMMP3ALDH1A1TP53
SCHEMBL27131524 0.78 THRB (0.58) THRBMAPTMMP3ALDH1A1TP53
SCHEMBL21148402 0.78 THRB (0.75) THRBPKMMAPTMMP3ALDH1A1
SCHEMBL21148401 0.78 THRB (0.75) THRBPKMMAPTMMP3ALDH1A1
SCHEMBL23553190 0.78 THRB (0.75) THRBPKMMAPTMMP3ALDH1A1
SCHEMBL25123478 0.78 THRB (0.75) THRBPKMMAPTMMP3ALDH1A1
SCHEMBL181487 0.77 THRB (0.60) THRBPPARGPPARAALDH1A1TP53
SCHEMBL16893759 0.77 THRB (0.69) THRBPPARGPPARAMMP3ALDH1A1
SCHEMBL16893724 0.77 THRB (0.69) THRBMMP3ALDH1A1TSHRHDAC3
SCHEMBL29315983 0.76 THRB (0.56) THRBMMP3HDAC3HDAC4HDAC1

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