SCHEMBL29315957

SCHEMBL29315957

C=C/C=C(\C=C)c1ccc(NC(=O)CCCOC(=O)C=C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FURIN P09958 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL11060784 0.81 HDAC3 (0.56) ALDH1A1L3MBTL1HPGDLMNAMAPT
SCHEMBL11054572 0.77 HDAC8 (0.55) THRBTSHRALDH1A1CYP3A4CYP1A2
SCHEMBL29321720 0.75 MMP3 (0.48) LMNAMAPTGAAMAPK1MEN1
SCHEMBL29315958 0.74 HDAC1 (0.61) TSHRALDH1A1CYP3A4HDAC3HDAC4
SCHEMBL29315960 0.74 HDAC1 (0.61) TSHRALDH1A1CYP3A4HDAC3HDAC4
SCHEMBL11668555 0.72 CYP3A4 (0.58) THRBALDH1A1CYP3A4L3MBTL1HPGD
SCHEMBL29316123 0.71 MMP3 (0.53) TSHRALDH1A1CYP3A4L3MBTL1GAA
SCHEMBL29316124 0.71 HDAC1 (0.54) TSHRALDH1A1CYP3A4L3MBTL1HDAC3
SCHEMBL29321740 0.71 HDAC1 (0.54) TSHRALDH1A1CYP3A4L3MBTL1HDAC3
SCHEMBL29315961 0.71 THRB (0.41) THRBTSHRALDH1A1CYP3A4HPGD

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