SCHEMBL25313886

SCHEMBL25313886

O=C(O)c1cccc(C(=O)O)c1-c1cccc(N=Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.50
▸ CA1 P00915 5/20 0.50
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HNF4A P41235 1/20 0.41
▸ CA9 Q16790 3/20 0.40
▸ CA7 P43166 2/20 0.40
▸ ACHE P22303 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 2/20 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
SCHEMBL25313881 1.00 CA2 (0.50) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL25316239 0.86 ALDH1A1 (0.41) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL25316234 0.86 ALDH1A1 (0.41) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL30343495 0.85 CA1 (0.56) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL28806726 0.79 CA1 (0.46) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL11326750 0.75 CA1 (0.52) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL11813342 0.75 CA1 (0.52) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL11326747 0.75 CA1 (0.52) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL22170339 0.74 ALDH1A1 (0.43) CA2CA1ALDH1A1KDM4EMAPT
SCHEMBL28660987 0.74 CA1 (0.44) CA2CA1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230235116-A1 HIGH-TEMPERATURE SELF-CROSSLINKING-BASED FLAME-RETARDANT ANTI-DRIPPING COPOLYESTER, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN UNIVERSITY (CN) 2023-07-27 — — US disclosed
EP-4169967-A1 HIGH-TEMPERATURE SELF-CROSSLINKING-BASED FLAME-RETARDANT DROPLET-RESISTANT COPOLYESTER, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan University (CN) 2023-04-26 — — EP disclosed
CN-113817152-B Flame-retardant anti-dripping copolyester based on high-temperature self-crosslinking and preparation method and application thereof 四川大学 2022-11-11 — — CN disclosed
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