SCHEMBL19340044

SCHEMBL19340044

CSCC(=O)c1cccc(C(=O)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.41
▸ ALOX5 P09917 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HDAC3 O15379 4/20 0.37
▸ HDAC4 P56524 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC7 Q8WUI4 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC9 Q9UKV0 4/20 0.37
▸ HDAC5 Q9UQL6 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA12 O43570 2/20 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
SCHEMBL10031819 0.82 ACHE (0.52) ACHEALOX5HDAC8HDAC6NPSR1
SCHEMBL12518234 0.81 ACHE (0.45) ACHEALOX5ALDH1A1NPSR1
SCHEMBL10432567 0.79 ACHE (0.44) ACHEALOX5CYP2D6HRH4HRH3
SCHEMBL10419313 0.76 ERCC5 (0.56) ALDH1A1NPSR1
SCHEMBL13543258 0.74 ALDH1A1 (0.47) ACHEALOX5ALDH1A1NPC1RAB9A
SCHEMBL6294867 0.74 CA12 (0.52) ACHEALOX5ALDH1A1NPC1RAB9A
SCHEMBL6320924 0.74 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL879474 0.74 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13334393 0.74 ACHE (0.42) ACHEALOX5NPC1RAB9ANPSR1
SCHEMBL9851576 0.73 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-10011685-B2 Polyarylether ketone imide adhesives THE BOEING COMPANY (US) 2018-07-03 — — US disclosed
US-20170260332-A1 POLYARYLETHER KETONE IMIDE ADHESIVES THE BOEING COMPANY 2017-09-14 — — US disclosed
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