SCHEMBL16449189

SCHEMBL16449189

CCCC(=O)N[C@H](Cc1ccccc1)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.60
ALDH1A1 P00352 1/20 0.58
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
FAAH O00519 2/20 0.53
POLB P06746 1/20 0.53
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
ACE P12821 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL8258217 0.89 PSMB5 (0.58) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL987675 0.89 PSMB5 (0.58) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL987963 0.89 FAAH (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11793269 0.89 FAAH (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL265066 0.89 FAAH (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16473192 0.87 ALDH1A1 (0.60) PSMB5ALDH1A1POLBACE
SCHEMBL20468445 0.87 ALDH1A1 (0.60) PSMB5ALDH1A1POLBACE
SCHEMBL16770417 0.85 ALDH1A1 (0.55) PSMB5ALDH1A1CTSGCMA1ACE
SCHEMBL987191 0.85 PSMB5 (0.64) PSMB5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9487603 0.85 POLB (0.67) PSMB5ALDH1A1POLBHDAC1HDAC6

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
US-8952056-B2 Methods for inhibiting drug degradation SEQUOIA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed