SCHEMBL29488459

SCHEMBL29488459

CCN1CCC(NC(=O)/C(=C/CCCCC(=O)NO)COc2cccc3ccccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.44
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ OGG1 O15527 1/20 0.38
▸ PREP P48147 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL1306538 1.00 P2RX3 (0.44) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306531 1.00 P2RX3 (0.44) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29488471 0.95 P2RX3 (0.42) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306220 0.95 P2RX3 (0.42) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306218 0.95 P2RX3 (0.42) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306806 0.92 P2RX3 (0.44) P2RX3OGG1PREPALDH1A1KDM4E
SCHEMBL1306804 0.92 P2RX3 (0.44) P2RX3OGG1PREPALDH1A1KDM4E
SCHEMBL1307079 0.91 P2RX3 (0.42) P2RX3OGG1PREPALDH1A1KDM4E
SCHEMBL1307082 0.91 P2RX3 (0.42) P2RX3OGG1PREPALDH1A1KDM4E
SCHEMBL1305009 0.91 P2RX3 (0.55) P2RX3HDAC3HDAC1HDAC2HDAC6

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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