SCHEMBL29316124

SCHEMBL29316124

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.54
HDAC2 Q92769 6/20 0.54
MMP3 P08254 2/20 0.52
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
RORC P51449 2/20 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

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
SCHEMBL29321740 1.00 HDAC1 (0.54) HDAC1HDAC2MMP3HDAC3HDAC4
SCHEMBL29316123 0.99 MMP3 (0.53) HDAC1HDAC2MMP3HDAC3HDAC4
SCHEMBL29321720 0.95 MMP3 (0.48) HDAC1HDAC2MMP3HDAC3HDAC4
SCHEMBL29316122 0.91 MMP3 (0.49) HDAC1HDAC2MMP3TSHRRORC
SCHEMBL29315958 0.86 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29315960 0.86 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29322132 0.83 HDAC1 (0.53) HDAC1HDAC2MMP3HDAC3HDAC4
SCHEMBL29316177 0.83 HDAC1 (0.53) HDAC1HDAC2MMP3HDAC3HDAC4
SCHEMBL10428402 0.83 HDAC1 (0.50) HDAC1HDAC2MMP3ALDH1A1TSHR
SCHEMBL10428149 0.83 HDAC1 (0.50) HDAC1HDAC2MMP3ALDH1A1TSHR

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