SCHEMBL29316174

SCHEMBL29316174

C=C(C)C(=O)OCCCCC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.52
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
RORC P51449 3/20 0.45
POLB P06746 2/20 0.44
PGR P06401 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41

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
SCHEMBL29322132 0.99 HDAC1 (0.53) MMP3HDAC1HDAC2RORCPOLB
SCHEMBL29316177 0.99 HDAC1 (0.53) MMP3HDAC1HDAC2RORCPOLB
SCHEMBL29322120 0.97 MMP3 (0.47) MMP3HDAC1HDAC2RORCPOLB
SCHEMBL29316168 0.92 MMP3 (0.48) MMP3HDAC1HDAC2RORCPOLB
SCHEMBL29316040 0.86 HDAC1 (0.58) HDAC1HDAC2POLBHTTHDAC3
SCHEMBL29316044 0.85 HDAC1 (0.60) HDAC1HDAC2POLBAPEX1HTT
SCHEMBL29316042 0.85 HDAC1 (0.60) HDAC1HDAC2POLBAPEX1HTT
SCHEMBL29316123 0.83 MMP3 (0.53) MMP3HDAC1HDAC2RORCPOLB
SCHEMBL10428063 0.83 POLB (0.55) MMP3HDAC1HDAC2POLBMMP1
SCHEMBL29316039 0.82 HDAC1 (0.56) HDAC1HDAC2POLBL3MBTL1HTT

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