SCHEMBL29316104

SCHEMBL29316104

C=CC(=O)OCCCCOC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP3 P08254 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MMP2 P08253 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL29321625 0.99 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL29316111 0.99 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL29321600 0.97 TDP1 (0.44) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL29316099 0.95 TDP1 (0.46) TSHRALDH1A1TDP1L3MBTL1MMP3
SCHEMBL17695235 0.89 TSHR (0.58) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL24599323 0.88 MMP3 (0.49) TSHRALDH1A1CYP3A4MMP3HDAC1
SCHEMBL16425790 0.88 MMP3 (0.49) TSHRALDH1A1CYP3A4MMP3HDAC1
SCHEMBL14130800 0.88 MMP3 (0.49) TSHRALDH1A1CYP3A4MMP3HDAC1
SCHEMBL12676172 0.87 HDAC1 (0.50) TSHRALDH1A1CYP3A4MMP3HDAC1
SCHEMBL5961806 0.86 MMP3 (0.58) TSHRALDH1A1CYP3A4MMP3HDAC1

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