SCHEMBL29488470

SCHEMBL29488470

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCCN1CCCC1=C1CC=CO1)NO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PREP P48147 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ TERT O14746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ OGG1 O15527 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL1305790 0.86 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1305792 0.86 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL29525119 0.86 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1306318 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1306323 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL5017280 0.79 HRH3 (0.45) KDM4EALDH1A1HSD17B10PREPPRMT5
SCHEMBL1305961 0.78 L3MBTL1 (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1305962 0.78 L3MBTL1 (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
Cg-200745 SCHEMBL29761007 0.76 HTR1B (0.43) KDM4EALDH1A1MAPTADAMTS4ADAMTS5
SCHEMBL1305819 0.76 TDP1 (0.50) KDM4EALDH1A1MAPTHPGDTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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