SCHEMBL9860468

SCHEMBL9860468

CCCCCCCCCC(=O)NSCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
FAAH O00519 6/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
DEGS1 O15121 1/20 0.45
ASAH1 Q13510 1/20 0.45
PPARG P37231 5/20 0.45
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45

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
SCHEMBL14166466 1.00 HSP90AA1 (0.55) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL14166875 0.96 HSP90AA1 (0.50) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL19041099 0.91 HSP90AA1 (0.47) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL10909077 0.89 SLC6A5 (0.51) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL10909147 0.89 HSP90AA1 (0.52) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL10911251 0.87 GPR84 (0.55) MEN1KMT2APPARGPPARDPPARA
SCHEMBL11704315 0.84 CES2 (0.42) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL10909670 0.84 HSP90AA1 (0.47) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL10912801 0.84 DNM1 (0.58) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL6063048 0.83 HSP90AA1 (0.54) HSP90AA1FAAHMEN1KMT2AMAPK1

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
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed