Heptanoate

Heptanoate

SCHEMBL5875207

CCCCCCC(=O)O.Cc1ccccc1C(C)(C)N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.49
PPARG P37231 7/20 0.49
PPARD Q03181 7/20 0.49
PPARA Q07869 7/20 0.49
HDAC11 Q96DB2 5/20 0.49
TSHR P16473 4/20 0.49
PTPN1 P18031 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TLR2 O60603 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
FABP4 P15090 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MEN1 O00255 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE4A P27815 1/20 0.49
PDE3A Q14432 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
Stearic Acid SCHEMBL5874660 1.00 GPR84 (0.49) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL5874460 1.00 GPR84 (0.49) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL5874717 1.00 GPR84 (0.49) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL5874695 1.00 GPR84 (0.49) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL5875213 0.99 AKR1B1 (0.47) GPR84PPARGPPARDPPARAHDAC11
Valeric Acid SCHEMBL5874940 0.94 CES2 (0.41) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL5874411 0.94 HPGD (0.47) HDAC11TSHRALDH1A1TDP1MAPT
Adipic Acid SCHEMBL5874263 0.93 HPGD (0.45) HDAC11ALDH1A1TDP1FABP4FABP5
Oleic Acid SCHEMBL5874782 0.92 PPARG (0.56) PPARGPPARDPPARATSHRPTPN1
Glutarate SCHEMBL5875052 0.90 LTA4H (0.44) HDAC11TSHRALDH1A1TDP1MAPT

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-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed