SCHEMBL29315946

SCHEMBL29315946

C=CC(=O)OCCCNC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.48
PTAFR P25105 1/20 0.47

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
SCHEMBL29315943 0.96 DRD2 (0.55) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29315953 0.95 HDAC1 (0.56) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29315947 0.95 HDAC1 (0.56) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29315941 0.92 SMN1; SMN2 (0.52) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29321688 0.85 CD274 (0.48) DRD3HDAC1HDAC3RAB9AALDH1A1
SCHEMBL28504974 0.83 SMN1; SMN2 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29315487 0.82 PPARG (0.52) DRD3HDAC1HDAC3THRBPPARG
SCHEMBL29315934 0.81 TDP1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1THRB
SCHEMBL29315936 0.81 TDP1 (0.60) NPC1RAB9AALDH1A1THRBHPGD
SCHEMBL8161569 0.80 ALDH1A1 (0.78) DRD2DRD4DRD3HDAC1HDAC3

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