Octanoic Acid

Octanoic Acid

SCHEMBL28007387

CCCCCCCC(=O)O.Oc1c(F)[nH]c2ccccc12

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
HSD17B10 Q99714 9/20 0.55
KDM4E B2RXH2 8/20 0.55
HPGD P15428 6/20 0.55
OXER1 Q8TDS5 1/20 0.55
GSK3B P49841 1/20 0.52
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
USP2 O75604 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45

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
Palmitic Acid SCHEMBL9397126 0.84 OXER1 (0.64) ALDH1A1HSD17B10KDM4EHPGDOXER1
Carbazole SCHEMBL9398513 0.84 OXER1 (0.64) ALDH1A1HSD17B10KDM4EHPGDOXER1
Octanoic Acid SCHEMBL27930618 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDOXER1
Nonanoate SCHEMBL28007393 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDOXER1
Nonanoate SCHEMBL28818092 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDOXER1
Octanoic Acid SCHEMBL28007077 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDOXER1
Carbazole SCHEMBL28847016 0.83 OXER1 (0.61) ALDH1A1HSD17B10KDM4EHPGDOXER1
SCHEMBL27614587 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDGAA
Myristic Acid SCHEMBL7796489 0.76 MTNR1A (0.57) ALDH1A1HSD17B10KDM4EOXER1MEN1
Stearic Acid SCHEMBL1863214 0.76 MTNR1A (0.57) ALDH1A1HSD17B10KDM4EOXER1MEN1

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-101970682-B Method for detecting and/or identifying clostridium difficile BIOMERIEUX SA 2015-05-13 CN disclosed