SCHEMBL29488477

SCHEMBL29488477

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ NCOR2 Q9Y618 2/20 0.42
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL1305364 1.00 LMNA (0.42) LMNAPOLBHDAC1HDAC3HDAC2
SCHEMBL1305361 1.00 LMNA (0.42) LMNAPOLBHDAC1HDAC3HDAC2
SCHEMBL1306924 0.93 HDAC6 (0.42) LMNAHDAC1HDAC3HDAC2HDAC8
SCHEMBL29488475 0.93 HDAC6 (0.42) LMNAHDAC1HDAC3HDAC2HDAC8
SCHEMBL1306921 0.93 HDAC6 (0.42) LMNAHDAC1HDAC3HDAC2HDAC8
SCHEMBL1307956 0.91 KDM4E (0.46) LMNAPOLBPLAAT3PLAAT5PLAAT2
SCHEMBL1307959 0.91 KDM4E (0.46) LMNAPOLBPLAAT3PLAAT5PLAAT2
SCHEMBL1306689 0.91 PTPN1 (0.48) LMNAPOLBHDAC1HDAC3HDAC2
SCHEMBL29488458 0.91 PTPN1 (0.48) LMNAPOLBHDAC1HDAC3HDAC2
SCHEMBL1306686 0.91 PTPN1 (0.48) LMNAPOLBHDAC1HDAC3HDAC2

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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