SCHEMBL29316042

SCHEMBL29316042

C=C(C)C(=O)OCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.60
HDAC6 Q9UBN7 13/20 0.60
HDAC3 O15379 12/20 0.60
HDAC8 Q9BY41 12/20 0.60
HDAC2 Q92769 11/20 0.60
HDAC4 P56524 11/20 0.60
HDAC7 Q8WUI4 11/20 0.60
HDAC11 Q96DB2 11/20 0.60
HDAC9 Q9UKV0 11/20 0.60
HDAC5 Q9UQL6 11/20 0.60
HDAC10 Q969S8 10/20 0.60
KDM4E B2RXH2 1/20 0.48
BRD4 O60885 1/20 0.48
NCOR1 O75376 1/20 0.48
NR1I2 O75469 1/20 0.48
EGFR P00533 1/20 0.48
CYP3A4 P08684 1/20 0.48
LTA4H P09960 1/20 0.48
NR0B1 P51843 1/20 0.48
PLK1 P53350 1/20 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
SCHEMBL29316044 1.00 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316040 0.99 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316039 0.95 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316037 0.90 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29322132 0.86 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316177 0.86 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29316174 0.85 MMP3 (0.52) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29315578 0.83 SOAT1 (0.64) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL29315576 0.83 SOAT1 (0.64) HDAC1HDAC6HDAC3HDAC8HDAC2
Biphenyl SCHEMBL8010287 0.83 POLB (0.55) 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