SCHEMBL29322120

SCHEMBL29322120

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
POLB P06746 2/20 0.45
RORC P51449 3/20 0.43
MMP2 P08253 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.43
PGR P06401 1/20 0.42
PAX8 Q06710 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29316174 0.97 MMP3 (0.52) MMP3HDAC1HDAC2POLBRORC
SCHEMBL29316177 0.95 HDAC1 (0.53) MMP3HDAC1HDAC2POLBRORC
SCHEMBL29322132 0.95 HDAC1 (0.53) MMP3HDAC1HDAC2POLBRORC
SCHEMBL29316168 0.93 MMP3 (0.48) MMP3HDAC1HDAC2POLBRORC
SCHEMBL29316039 0.85 HDAC1 (0.56) HDAC1HDAC2POLBTP53GAA
SCHEMBL29321720 0.82 MMP3 (0.48) MMP3HDAC1HDAC2POLBRORC
SCHEMBL29316040 0.82 HDAC1 (0.58) HDAC1HDAC2POLBPAX8KMT2A
SCHEMBL10428063 0.81 POLB (0.55) MMP3HDAC1HDAC2POLBMMP2
SCHEMBL10428400 0.81 POLB (0.52) MMP3HDAC1HDAC2POLBMMP2
SCHEMBL29316042 0.81 HDAC1 (0.60) HDAC1HDAC2POLBPAX8APEX1

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 1 patent. 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