SCHEMBL29315947

SCHEMBL29315947

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
DRD4 P21917 2/20 0.54
PTAFR P25105 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL29315953 1.00 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29315943 0.99 DRD2 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29315946 0.95 DRD2 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29315941 0.90 SMN1; SMN2 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29321701 0.86 NAMPT (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29316121 0.86 NAMPT (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29316117 0.84 CD274 (0.47) HDAC1HDAC3DRD3RAB9AALDH1A1
SCHEMBL29315490 0.83 HDAC3 (0.51) HDAC1HDAC3DRD3ALDH1A1CYP3A4
SCHEMBL29315939 0.83 TDP1 (0.58) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL27812822 0.83 TDP1 (0.58) NPC1RAB9AALDH1A1CYP3A4TSHR

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