SCHEMBL29316029

SCHEMBL29316029

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
PTAFR P25105 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL29316034 0.96 DRD2 (0.57) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL29316035 0.95 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL29316036 0.95 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL14368851 0.92 NPC1 (0.55) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL29322071 0.85 ALDH1A1 (0.48) DRD3ALDH1A1RAB9AHDAC3HDAC1
SCHEMBL29315583 0.82 PPARG (0.51) DRD3HDAC3HDAC1HTTHPGD
SCHEMBL8161569 0.82 ALDH1A1 (0.78) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL29316022 0.81 TDP1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL29316020 0.81 TDP1 (0.54) SMN1; SMN2NPC1POLBAPEX1HTT
SCHEMBL29315946 0.81 DRD2 (0.53) DRD2DRD4DRD3ALDH1A1SMN1; SMN2

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