SCHEMBL1472047

SCHEMBL1472047

Nc1ccc(-c2cnc(CC(=O)CCCCCc3ccccc3)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.69
CES1 P23141 1/20 0.58
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 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
SCHEMBL1471400 0.90 FAAH (0.69) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL1474087 0.89 FAAH (0.69) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL1472035 0.88 FAAH (0.72) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL1471366 0.86 FAAH (0.71) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL1474043 0.84 FAAH (0.69) FAAHCES1
SCHEMBL1471174 0.83 FAAH (0.71) FAAHCES1
SCHEMBL1472013 0.83 FAAH (0.72) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL1472178 0.82 FAAH (1.00) FAAHCES1
SCHEMBL1471575 0.82 FAAH (0.72) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL1474042 0.81 FAAH (0.69) FAAHCES1

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-7915270-B2 Oxazole ketones as modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-29 US claimed