SCHEMBL29316117

SCHEMBL29316117

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.47
NAMPT P43490 1/20 0.47
EGLN1 Q9GZT9 2/20 0.45
DRD3 P35462 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
TRPA1 O75762 1/20 0.43
EPHX2 P34913 1/20 0.42
PPARA Q07869 1/20 0.42
MMP3 P08254 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
CCR3 P51677 1/20 0.41
CHRM4 P08173 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL29321701 0.99 NAMPT (0.48) CD274NAMPTEGLN1DRD3HDAC3
SCHEMBL29316121 0.99 NAMPT (0.48) CD274NAMPTEGLN1DRD3HDAC3
SCHEMBL29321688 0.96 CD274 (0.48) CD274NAMPTEGLN1DRD3HDAC3
SCHEMBL29316114 0.92 CD274 (0.50) CD274NAMPTEGLN1HDAC1SIGMAR1
SCHEMBL29315943 0.85 DRD2 (0.55) DRD3HDAC3HDAC1ALDH1A1RAB9A
SCHEMBL29315953 0.84 HDAC1 (0.56) DRD3HDAC3HDAC1ALDH1A1RAB9A
SCHEMBL29315947 0.84 HDAC1 (0.56) DRD3HDAC3HDAC1ALDH1A1RAB9A
SCHEMBL29316104 0.84 TSHR (0.46) HDAC1MMP3ALDH1A1RAB9A
SCHEMBL29321625 0.83 ALDH1A1 (0.49) HDAC1MMP3ALDH1A1RAB9A
SCHEMBL29316111 0.83 ALDH1A1 (0.49) HDAC1MMP3ALDH1A1RAB9A

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