SCHEMBL29488458

SCHEMBL29488458

COc1ccc(CCNC(=O)/C(=C/CCCCC(=O)NO)COc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ PLAAT3 P53816 2/20 0.44
▸ PLAAT5 Q96KN8 2/20 0.44
▸ PLAAT2 Q9NWW9 2/20 0.44
▸ PLAAT4 Q9UL19 2/20 0.44

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
SCHEMBL1306686 1.00 PTPN1 (0.48) PTPN1HPGDMCL1POLBCNR1
SCHEMBL1306689 1.00 PTPN1 (0.48) PTPN1HPGDMCL1POLBCNR1
SCHEMBL1305400 0.92 CACNA1B (0.46) PTPN1HPGDCNR1HDAC1HDAC3
SCHEMBL1305933 0.92 CACNA1B (0.46) PTPN1HPGDCNR1HDAC1HDAC3
SCHEMBL29488457 0.92 CACNA1B (0.46) PTPN1HPGDCNR1HDAC1HDAC3
SCHEMBL1306109 0.92 HPGD (0.48) PTPN1HPGDMCL1POLBCNR1
SCHEMBL1306108 0.92 HPGD (0.48) PTPN1HPGDMCL1POLBCNR1
SCHEMBL1307037 0.92 PTPN1 (0.48) PTPN1HPGDMCL1POLBCNR1
SCHEMBL1307035 0.92 PTPN1 (0.48) PTPN1HPGDMCL1POLBCNR1
SCHEMBL1305364 0.91 LMNA (0.42) HPGDPOLBHDAC1HDAC3HDAC4

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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