SCHEMBL29316121

SCHEMBL29316121

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
CD274 Q9NZQ7 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
DRD3 P35462 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HDAC2 Q92769 2/20 0.43
TRPA1 O75762 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARA Q07869 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MMP3 P08254 2/20 0.41
HDAC4 P56524 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 1.00 NAMPT (0.48) NAMPTCD274HDAC1HDAC3MKNK1
SCHEMBL29316117 0.99 CD274 (0.47) NAMPTCD274HDAC1HDAC3MKNK1
SCHEMBL29321688 0.95 CD274 (0.48) NAMPTCD274HDAC1HDAC3MKNK1
SCHEMBL29316114 0.91 CD274 (0.50) NAMPTCD274HDAC1MKNK1MKNK2
SCHEMBL29315953 0.86 HDAC1 (0.56) HDAC1HDAC3DRD3ALDH1A1CYP3A4
SCHEMBL29315947 0.86 HDAC1 (0.56) HDAC1HDAC3DRD3ALDH1A1CYP3A4
SCHEMBL29315943 0.84 DRD2 (0.55) HDAC1HDAC3DRD3ALDH1A1HDAC2
SCHEMBL29321625 0.84 ALDH1A1 (0.49) HDAC1ALDH1A1CYP3A4TSHRHDAC2
SCHEMBL29316111 0.84 ALDH1A1 (0.49) HDAC1ALDH1A1CYP3A4TSHRHDAC2
SCHEMBL29316104 0.83 TSHR (0.46) HDAC1ALDH1A1CYP3A4TSHRHDAC2

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