SCHEMBL24879511

SCHEMBL24879511

CCCCCCCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.65
▸ PSMB5 P28074 3/20 0.63
▸ CTSB P07858 1/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ CHRNB2 P17787 1/20 0.55
▸ CHRNB4 P30926 1/20 0.55
▸ CHRNA3 P32297 1/20 0.55
▸ CHRNA4 P43681 1/20 0.55
▸ GRIA1 P42261 1/20 0.55

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
SCHEMBL9519035 0.89 CHRNB2 (0.69) FAAHPSMB5CHRNB2CHRNB4CHRNA3
SCHEMBL6438848 0.89 CHRNB2 (0.69) FAAHPSMB5CHRNB2CHRNB4CHRNA3
SCHEMBL4740245 0.88 CHRNB2 (0.65) FAAHPSMB5CHRNB2CHRNB4CHRNA3
SCHEMBL21356921 0.88 CHRNB2 (0.65) FAAHPSMB5CHRNB2CHRNB4CHRNA3
SCHEMBL7284737 0.88 HDAC1 (0.54) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL21356920 0.88 CHRNB2 (0.65) FAAHPSMB5CHRNB2CHRNB4CHRNA3
SCHEMBL38659045 0.88 CHRND (0.59) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL12324830 0.86 CHRNB2 (0.69) FAAHPSMB5CTSBCHRNB2CHRNB4
SCHEMBL16247369 0.86 CHRNB2 (0.69) FAAHPSMB5CTSBCHRNB2CHRNB4
SCHEMBL25497019 0.86 FAAH (0.60) FAAHPSMB5CTSBHDAC3HDAC4

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
WO-2023283434-A9 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2024-03-28 — — WO disclosed
WO-2023283434-A1 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-12 — — WO disclosed
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