SCHEMBL29315958

SCHEMBL29315958

C=CC(=O)OCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.61
HDAC6 Q9UBN7 14/20 0.61
HDAC3 O15379 13/20 0.61
HDAC8 Q9BY41 13/20 0.61
HDAC2 Q92769 12/20 0.61
HDAC4 P56524 12/20 0.61
HDAC7 Q8WUI4 12/20 0.61
HDAC11 Q96DB2 12/20 0.61
HDAC9 Q9UKV0 12/20 0.61
HDAC5 Q9UQL6 12/20 0.61
HDAC10 Q969S8 11/20 0.61
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
NCOR1 O75376 1/20 0.49
NR1I2 O75469 1/20 0.49
EGFR P00533 1/20 0.49
LTA4H P09960 1/20 0.49
NR0B1 P51843 1/20 0.49
PLK1 P53350 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
SCHEMBL29315960 1.00 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL11054572 0.91 HDAC8 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29315954 0.90 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316124 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29321740 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316123 0.84 MMP3 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29315483 0.83 SOAT1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29315481 0.83 SOAT1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316042 0.81 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29315479 0.81 SOAT1 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC2

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