SCHEMBL29316099

SCHEMBL29316099

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
MMP2 P08253 5/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP3 P08254 5/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL29321600 0.95 TDP1 (0.44) TDP1L3MBTL1THRBMMP2ADRB2
SCHEMBL29316104 0.95 TSHR (0.46) TDP1L3MBTL1THRBMMP2ADRB2
SCHEMBL29321625 0.93 ALDH1A1 (0.49) TDP1L3MBTL1THRBMMP2ADRB2
SCHEMBL29316111 0.93 ALDH1A1 (0.49) TDP1L3MBTL1THRBMMP2ADRB2
SCHEMBL11994234 0.92 THRB (0.46) TDP1L3MBTL1THRBADRB2ADRB1
SCHEMBL4350865 0.86 THRB (0.51) THRBMMP2ALDH1A1MAPTTP53
SCHEMBL14379724 0.86 THRB (0.51) THRBMMP2ALDH1A1MAPTTP53
SCHEMBL471107 0.84 THRB (0.61) THRBMMP2ALDH1A1MAPTMMP3
SCHEMBL29316074 0.84 MMP13 (0.47) THRBMMP2ALDH1A1MAPTTSHR
SCHEMBL21500157 0.84 THRB (0.48) THRBMMP2ALDH1A1MAPTTSHR

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