Octanoic Acid

Octanoic Acid

SCHEMBL28002129

CCCCCCCC(=O)O.Oc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
GSK3B P49841 1/20 0.47
OXER1 Q8TDS5 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
NR4A2 P43354 1/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 5/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
GPR84 Q9NQS5 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 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
Butyric Acid SCHEMBL28033714 0.91 F7 (0.55) F7F3NR4A2HSD17B10GFER
Nonanoate SCHEMBL27828760 0.90 GSK3B (0.47) GSK3BOXER1NR4A2HSD17B10TSHR
Palmitic Acid SCHEMBL432580 0.90 GSK3B (0.47) GSK3BOXER1NR4A2HSD17B10TSHR
Octanoic Acid SCHEMBL2155766 0.90 GSK3B (0.47) GSK3BOXER1NR4A2HSD17B10TSHR
Nonanoate SCHEMBL27828770 0.85 GSK3B (0.47) GSK3BTRPV1NR4A2HSD17B10TSHR
Octanoic Acid SCHEMBL8441356 0.85 GSK3B (0.47) GSK3BTRPV1NR4A2HSD17B10TSHR
Oleic Acid SCHEMBL22441048 0.84 PPARG (0.50) F7F3OXER1NR4A2HSD17B10
Stearic Acid SCHEMBL1863214 0.82 MTNR1A (0.57) OXER1HSD17B10TSHRMTNR1APPARG
Octanoic Acid SCHEMBL4212535 0.82 MTNR1A (0.57) OXER1HSD17B10TSHRMTNR1APPARG
Palmitic Acid SCHEMBL8441596 0.82 MTNR1A (0.57) OXER1HSD17B10TSHRMTNR1APPARG

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
CN-104870651-A Micro-organism detection medium comprising at least one alkyl(thio)glycoside BIO MERIEUX INC 2015-08-26 CN disclosed
CN-101970682-B Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2015-05-13 CN disclosed
CN-104508140-A Method of detecting OXA-048 carbapenemase producing bacteria BIO MERIEUX INC 2015-04-08 CN disclosed