SCHEMBL29488475

SCHEMBL29488475

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCc1ccc(O)cc1)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC1 Q13547 5/20 0.42
▸ HDAC3 O15379 4/20 0.42
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC10 Q969S8 4/20 0.42
▸ HDAC11 Q96DB2 4/20 0.42
▸ HDAC8 Q9BY41 4/20 0.42
▸ NCOR2 Q9Y618 2/20 0.42
▸ HDAC4 P56524 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLAAT3 P53816 1/20 0.40
▸ PLAAT5 Q96KN8 1/20 0.40
▸ PLAAT2 Q9NWW9 1/20 0.40
▸ PLAAT4 Q9UL19 1/20 0.40
▸ OGG1 O15527 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
SCHEMBL1306924 1.00 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL1306921 1.00 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL29488477 0.93 LMNA (0.42) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL1305364 0.93 LMNA (0.42) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL1305361 0.93 LMNA (0.42) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL1307532 0.91 ALDH1A1 (0.46) ADAMTS5ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307535 0.91 ALDH1A1 (0.46) ADAMTS5ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306686 0.91 PTPN1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL1306689 0.91 PTPN1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL29488458 0.91 PTPN1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114340672-A Pharmaceutical composition comprising an HDAC inhibitor and an anti-PD 1 antibody or an anti-PD-L1 antibody 晶体基因技术株式会社 2022-04-12 — — CN claimed
CN-112930177-B Pharmaceutical compositions containing alkylcarbamoyl naphthoyl octenoyl hydroxyamide phosphate, tartrate or combinations thereof and methods of making the same 晶体基因技术株式会社 2024-01-30 — — CN disclosed
CN-114340672-A Pharmaceutical composition comprising an HDAC inhibitor and an anti-PD 1 antibody or an anti-PD-L1 antibody 晶体基因技术株式会社 2022-04-12 — — CN disclosed
CN-110740989-B Pharmaceutically acceptable salts of alkylcarbamoylnaphthoxyoctenoylhydroxyamides or derivatives thereof and process for preparing the same 晶体基因技术株式会社 2022-03-08 — — CN disclosed
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