SCHEMBL29488473

SCHEMBL29488473

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(C(=O)C2CCCCC2)C1)NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.39
▸ HDAC1 Q13547 6/20 0.38
▸ HDAC6 Q9UBN7 6/20 0.38
▸ HDAC3 O15379 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OGG1 O15527 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL1306400 1.00 PREP (0.39) PREPHDAC1HDAC6HDAC3HDAC2
SCHEMBL1306403 1.00 PREP (0.39) PREPHDAC1HDAC6HDAC3HDAC2
SCHEMBL1307290 0.92 ALDH1A1 (0.39) PREPP2RX3ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307286 0.92 ALDH1A1 (0.39) PREPP2RX3ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307271 0.91 CNR1 (0.37) PREPP2RX3ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307270 0.91 CNR1 (0.37) PREPP2RX3ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307110 0.90 P2RX3 (0.42) PREPHDAC1HDAC6HDAC3HDAC2
SCHEMBL1307111 0.90 P2RX3 (0.42) PREPHDAC1HDAC6HDAC3HDAC2
SCHEMBL1308079 0.88 P2RX3 (0.47) PREPP2RX3ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1308075 0.88 P2RX3 (0.47) PREPP2RX3ALDH1A1ADAMTS4ADAMTS5

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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