SCHEMBL29637896

SCHEMBL29637896

CCc1cccc2c(C(=O)NO)c(C(=O)NO)c(C(=O)O)c(C(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.36
PPARA Q07869 3/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL3701251 0.78 KDM4E (0.44) CLCN2PPARABIDMCL1BCL2L1
SCHEMBL170434 0.76 NPC1 (0.38) CLCN2PPARABIDMCL1BCL2L1
SCHEMBL2238425 0.76 HDAC8 (0.48) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6265021 0.72 GABRA1 (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL423306 0.69 GABRA1 (0.54) CLCN2PPARABIDMCL1BCL2L1
SCHEMBL6264080 0.69 PPARA (0.40) PPARABIDMCL1BCL2L1BAK1
SCHEMBL29637877 0.68 FABP3 (0.38) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL27782207 0.66 TYMS (0.49) CLCN2GABRA1GABRB2
Nitrogen SCHEMBL10979876 0.66 GABRA1 (0.50) CLCN2PPARABIDMCL1BCL2L1
SCHEMBL10491448 0.65 GABRA1 (0.50) CLCN2PPARABIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659363-A Polyethylene naphthalate and preparation method and application thereof 烟台泰和新材高分子新材料研究院有限公司 2024-03-08 CN disclosed
CN-110591063-B Modified polyethylene naphthalate containing imide structure and preparation method thereof 沈阳建筑大学 2022-06-07 CN disclosed