SCHEMBL29316039

SCHEMBL29316039

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC3 O15379 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 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
SCHEMBL29316040 0.96 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29316044 0.95 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29316042 0.95 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29316037 0.92 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL25841613 0.86 MAPT (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29322120 0.85 MMP3 (0.47) HDAC1HDAC2TSHRMAPK1L3MBTL1
SCHEMBL27523375 0.84 CYP1A2 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29316174 0.82 MMP3 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29316177 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29322132 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7

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