SCHEMBL29488485

SCHEMBL29488485

COCCNC(=O)/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HDAC1 Q13547 8/20 0.43
▸ HDAC2 Q92769 7/20 0.43
▸ HDAC6 Q9UBN7 7/20 0.43
▸ HDAC3 O15379 6/20 0.43
▸ HDAC4 P56524 6/20 0.43
▸ HDAC7 Q8WUI4 6/20 0.43
▸ HDAC10 Q969S8 6/20 0.43
▸ HDAC11 Q96DB2 6/20 0.43
▸ HDAC8 Q9BY41 6/20 0.43
▸ HDAC9 Q9UKV0 6/20 0.43
▸ HDAC5 Q9UQL6 6/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ OGG1 O15527 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ACKR3 P25106 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL1305811 1.00 HPGD (0.45) HPGDKDM4EALDH1A1HDAC1HDAC2
SCHEMBL1305817 1.00 HPGD (0.45) HPGDKDM4EALDH1A1HDAC1HDAC2
SCHEMBL1306558 0.91 CNR2 (0.47) HPGDKDM4EALDH1A1TDP1OGG1
SCHEMBL1306561 0.91 CNR2 (0.47) HPGDKDM4EALDH1A1TDP1OGG1
SCHEMBL1308527 0.91 HPGD (0.49) HPGDKDM4EALDH1A1TDP1OGG1
SCHEMBL1308523 0.91 HPGD (0.49) HPGDKDM4EALDH1A1TDP1OGG1
Cg-200745 SCHEMBL29352975 0.87 HTR1B (0.44) HPGDKDM4EALDH1A1HDAC1HDAC2
Cg-200745 SCHEMBL29761004 0.87 HTR1B (0.44) HPGDKDM4EALDH1A1HDAC1HDAC2
Cg-200745 SCHEMBL16166645 0.87 HTR1B (0.44) HPGDKDM4EALDH1A1HDAC1HDAC2
Cg-200745 SCHEMBL16166647 0.87 HTR1B (0.44) HPGDKDM4EALDH1A1HDAC1HDAC2

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
Send feedback