SCHEMBL3902185

SCHEMBL3902185

CCCCCCCCCCCCCCCC[C@@](C)(NC(=O)CCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSP90AA1 P07900 1/20 0.48
FAAH O00519 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
NAALAD2 Q9Y3Q0 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

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
SCHEMBL5025138 0.90 NAALAD2 (0.59) ALDH1A1HSP90AA1FAAHMEN1KMT2A
SCHEMBL6336782 0.88 ALDH1A1 (0.50) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL9828329 0.86 HRH3 (0.54) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL9828332 0.86 HRH3 (0.54) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL871714 0.86 ALDH1A1 (0.52) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL6330220 0.86 ALDH1A1 (0.56) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL9830676 0.84 ALDH1A1 (0.47) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL9830667 0.84 ALDH1A1 (0.47) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL27622567 0.83 NAALAD2 (0.62) ALDH1A1MEN1KMT2ANAALAD2GPR84
SCHEMBL27622568 0.83 NAALAD2 (0.62) ALDH1A1MEN1KMT2ANAALAD2GPR84

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-1044676-B1 Oily material composition AJINOMOTO KK (JP) 2009-03-18 EP disclosed
US-6447790-B1 OXO AMIDES, HAVING GOOD MOISTURE PERMEABILITY AND BARRIER, EMULSIFIER STABILITY AND FEEL, USED AS COSMETIC LOTIONS AJINOMOTO CO., INC. (JP) 2002-09-10 US disclosed
EP-1044676-A2 Oily material composition Ajinomoto Co., Inc. (JP) 2000-10-18 EP disclosed