Heptanoate

Heptanoate

SCHEMBL6704869

CCCCCCC(=O)O.Cc1ccccc1C

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.65
PPARG P37231 7/20 0.65
PPARD Q03181 7/20 0.65
PPARA Q07869 7/20 0.65
HDAC11 Q96DB2 5/20 0.65
TSHR P16473 4/20 0.65
PTPN1 P18031 3/20 0.65
ALDH1A1 P00352 2/20 0.65
TLR2 O60603 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
FABP4 P15090 2/20 0.65
KMT2A Q03164 2/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65
MEN1 O00255 1/20 0.65
ESR1 P03372 1/20 0.65
PDE4A P27815 1/20 0.65
PDE3A Q14432 1/20 0.65

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 SCHEMBL11803277 1.00 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL28135720 1.00 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL28136495 1.00 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL28491536 0.98 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL5013710 0.98 AKR1B1 (0.64) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL27781087 0.96 GPR84 (0.61) GPR84PPARGPPARDPPARAHDAC11
O-Xylene SCHEMBL28841744 0.92 AKR1B1 (0.54) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL28279616 0.92 HDAC11 (0.61) GPR84PPARGPPARDPPARAHDAC11
Adipic Acid SCHEMBL21332433 0.90 HDAC3 (0.57) HDAC11TSHRALDH1A1TDP1FABP4
Adipic Acid SCHEMBL27731399 0.90 HDAC3 (0.57) HDAC11TSHRALDH1A1TDP1FABP4

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-20040229965-A1 Method for separating and recovering target polymers and their additives from a material containing polymers FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2004-11-18 US disclosed
US-20030191202-A1 Preferential precipitation; reuse of plastics FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 2003-10-09 US disclosed