SCHEMBL29315941

SCHEMBL29315941

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 4/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
THRB P10828 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL29315946 0.92 DRD2 (0.53) SMN1; SMN2NPC1RAB9AHPGDHIF1A
SCHEMBL28504974 0.91 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ANPSR1HPGD
SCHEMBL29315943 0.91 DRD2 (0.55) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL29315953 0.90 HDAC1 (0.56) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL29315947 0.90 HDAC1 (0.56) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL29316114 0.84 CD274 (0.50) RAB9AHDAC1EPHX2CD274MEN1
SCHEMBL16425941 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ANPSR1HPGD
SCHEMBL29315485 0.81 CHRNB2 (0.52) SMN1; SMN2NPSR1ALDH1A1THRBHDAC3
SCHEMBL17350645 0.81 THRB (0.50) NPC1RAB9ADRD3THRBMEN1
SCHEMBL6423080 0.81 TSHR (0.46) SMN1; SMN2RAB9ANPSR1HPGDHIF1A

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