SCHEMBL29316034

SCHEMBL29316034

C=C(C)C(=O)OCCCCNC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL29316036 0.99 DRD2 (0.56) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29316035 0.99 DRD2 (0.56) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29316029 0.96 DRD2 (0.55) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL14368851 0.91 NPC1 (0.55) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29316165 0.86 POLB (0.47) DRD2DRD4DRD3HDAC1HDAC3
SCHEMBL29316172 0.85 POLB (0.49) DRD3HDAC1HDAC3HDAC2NPC1
SCHEMBL29322089 0.85 POLB (0.49) DRD3HDAC1HDAC3HDAC2NPC1
SCHEMBL29316022 0.83 TDP1 (0.58) SMN1; SMN2NPC1RAB9APOLBAPEX1
SCHEMBL29316026 0.82 TDP1 (0.59) SMN1; SMN2NPC1RAB9APOLBAPEX1
SCHEMBL29316023 0.82 TDP1 (0.59) SMN1; SMN2NPC1RAB9APOLBAPEX1

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