SCHEMBL8069041

SCHEMBL8069041

CCCCCCCCC(=O)NC(CCCC)C(=O)C1=CC=CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.47
FAAH O00519 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G2C Q5R387 2/20 0.41
SLC6A5 Q9Y345 1/20 0.40
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ASAH1 Q13510 1/20 0.38
ACER2 Q5QJU3 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL1993448 0.98 NOD1 (0.47) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL8623630 0.77 NOD1 (0.41) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL767119 0.75 HSD17B3 (0.42) MEN1KMT2AALDH1A1
SCHEMBL42670 0.75 HSD17B3 (0.42) MEN1KMT2AALDH1A1
SCHEMBL766857 0.75 HSD17B3 (0.42) MEN1KMT2AALDH1A1
SCHEMBL8628675 0.73 CASP2 (0.48) FAAHSLC6A5DNM1ALDH1A1
SCHEMBL5679462 0.73 CASP2 (0.48) FAAHSLC6A5DNM1ALDH1A1
SCHEMBL8622265 0.73 CASP2 (0.48) FAAHSLC6A5DNM1ALDH1A1
Hexadecane SCHEMBL5983357 0.72 TSHR (0.39) MEN1KMT2AALDH1A1
SCHEMBL9831223 0.70 NOD1 (0.87) NOD1FAAHMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017865-A FOR CLEANING OF SOILED FABRICS THE PROCTER & GAMBLE COMPANY (US) 2000-01-25 US disclosed
EP-0778342-A1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1997-06-11 EP disclosed