SCHEMBL28095752

SCHEMBL28095752

CCCCCCC=CC=CCCC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
FASN P49327 1/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
FAAH O00519 5/20 0.44
PPARG P37231 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL11973191 0.90 FAAH (0.46) CNR1FAAHTRPV1
SCHEMBL11973189 0.90 FAAH (0.46) CNR1FAAHTRPV1
SCHEMBL28095753 0.86 ALDH1A1 (0.50) ALDH1A1TSHRFASNCNR1CNR2
SCHEMBL9545655 0.83 FAAH (0.50) FAAHPPARGTRPV1
SCHEMBL2457086 0.83 FAAH (0.50) FAAHPPARGTRPV1
SCHEMBL9545701 0.83 FAAH (0.50) FAAHPPARGTRPV1
SCHEMBL9545653 0.83 FAAH (0.50) FAAHPPARGTRPV1
SCHEMBL9545704 0.83 FAAH (0.50) FAAHPPARGTRPV1
SCHEMBL2010350 0.83 FAAH (0.38) CNR1FAAHTRPV1
SCHEMBL2010352 0.83 FAAH (0.38) CNR1FAAHTRPV1

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
CN-104379543-B The method being produced different n-nonanoic acid by 2-Ethylhexyl Alcohol Oxea有限责任公司 2016-10-19 CN disclosed