SCHEMBL9828332

SCHEMBL9828332

CCCCCCCC(=O)N[C@@](C)(CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 3/20 0.49
HSP90AA1 P07900 1/20 0.48
FAAH O00519 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL9828329 1.00 HRH3 (0.54) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL9829061 0.93 ALDH1A1 (0.47) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL9829055 0.93 ALDH1A1 (0.47) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL1144284 0.91 HRH3 (0.69) HRH3FAAHMEN1KMT2APPARG
SCHEMBL1144283 0.91 HRH3 (0.69) HRH3FAAHMEN1KMT2APPARG
SCHEMBL9906759 0.91 HRH3 (0.69) HRH3FAAHMEN1KMT2APPARG
SCHEMBL6336782 0.88 ALDH1A1 (0.50) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL3902185 0.86 ALDH1A1 (0.53) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL871714 0.86 ALDH1A1 (0.52) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL22891559 0.85 HRH3 (0.61) HRH3FAAHMEN1KMT2APPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed