SCHEMBL29316168

SCHEMBL29316168

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.48
MMP2 P08253 3/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
PAX8 Q06710 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RORC P51449 1/20 0.42
ATM Q13315 1/20 0.42
PGR P06401 1/20 0.41
KCNA5 P22460 1/20 0.41
MAPT P10636 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 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
SCHEMBL29322120 0.93 MMP3 (0.47) MMP3MMP2MMP1MMP9MMP13
SCHEMBL29316174 0.92 MMP3 (0.52) MMP3MMP2MMP1MMP9MMP13
SCHEMBL29316177 0.91 HDAC1 (0.53) MMP3MMP2MMP1MMP9MMP13
SCHEMBL29322132 0.91 HDAC1 (0.53) MMP3MMP2MMP1MMP9MMP13
SCHEMBL29316037 0.85 HDAC1 (0.51) POLBTP53KMT2AGAAHDAC1
SCHEMBL11886544 0.82 LMNA (0.44) POLBTP53PAX8KMT2AGAA
SCHEMBL19619019 0.82 GAA (0.45) POLBPAX8KMT2AGAARORC
SCHEMBL29316122 0.81 MMP3 (0.49) MMP3MMP2MMP1MMP9MMP13
SCHEMBL12956396 0.79 CNR1 (0.51) MMP3POLBKMT2AMAPTSAE1
SCHEMBL29316152 0.79 MMP2 (0.49) MMP3MMP2MMP1MMP9MMP13

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