SCHEMBL21151833

SCHEMBL21151833

CCCCCCC(=O)NC(C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 3/20 0.57
FAAH O00519 6/20 0.55
HRH3 Q9Y5N1 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
TSHR P16473 3/20 0.46
GPR84 Q9NQS5 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46

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
SCHEMBL4627638 1.00 HSP90AA1 (0.57) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL10456338 1.00 HSP90AA1 (0.57) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL7637809 1.00 HSP90AA1 (0.57) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL2380630 1.00 HSP90AA1 (0.57) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL456198 1.00 HSP90AA1 (0.57) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL4627014 1.00 HSP90AA1 (0.57) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL11963272 0.98 HSP90AA1 (0.55) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL16669296 0.98 ALDH1A1 (0.59) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL3142547 0.89 HRH3 (0.69) FAAHHRH3MEN1KMT2APPARG
SCHEMBL11731139 0.85 HRH3 (0.64) ALDH1A1HRH3MEN1KMT2APPARG

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
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed