SCHEMBL29315715

SCHEMBL29315715

C=CC(=O)OCCCNC(=O)c1ccc(O)c(-n2nccccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
THRB P10828 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A4 P31645 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL29315717 0.83 NPC1 (0.39) TP53ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL29315946 0.73 DRD2 (0.53) ALDH1A1HPGDDRD2DRD3THRB
SCHEMBL29315654 0.73 NPC1 (0.41) TP53ALDH1A1PAX8TSHRL3MBTL1
SCHEMBL29315697 0.71 NPC1 (0.42) ALDH1A1TSHRTHRBNPC1TDP1
SCHEMBL29315693 0.71 NPC1 (0.42) ALDH1A1TSHRTHRBNPC1TDP1
SCHEMBL29315656 0.71 NPC1 (0.40) TP53ALDH1A1L3MBTL1HPGDDRD2
SCHEMBL29315943 0.70 DRD2 (0.55) ALDH1A1DRD2DRD3THRBNPC1
SCHEMBL29315947 0.69 HDAC1 (0.56) ALDH1A1TSHRDRD2DRD3NPC1
SCHEMBL29315953 0.69 HDAC1 (0.56) ALDH1A1TSHRDRD2DRD3NPC1
SCHEMBL28504974 0.68 SMN1; SMN2 (0.61) ALDH1A1HPGDTHRBNPC1

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