Adipic Acid

Adipic Acid

SCHEMBL7106977

CCCCCC.O=C(O)CCCCC(=O)O.OCCO

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC18A2SLC6A2SLC6A3

The experimentally established mechanism targets of Adipic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.84
GPR84 Q9NQS5 7/20 0.80
PPARG P37231 7/20 0.80
PPARD Q03181 7/20 0.80
PPARA Q07869 7/20 0.80
HDAC11 Q96DB2 5/20 0.80
TSHR P16473 4/20 0.80
PTPN1 P18031 3/20 0.80
FABP4 P15090 3/20 0.80
ALDH1A1 P00352 2/20 0.80
TLR2 O60603 2/20 0.80
TDP1 Q9NUW8 2/20 0.80
KMT2A Q03164 2/20 0.80
ALOX15 P16050 2/20 0.80
HSD17B10 Q99714 2/20 0.80
SLC22A6 Q4U2R8 1/20 0.80
SLC22A8 Q8TCC7 1/20 0.80
MEN1 O00255 1/20 0.80
ESR1 P03372 1/20 0.80
PDE4A P27815 1/20 0.80

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
Hexanoate SCHEMBL4970439 1.00 AKR1B1 (0.84) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL2929839 1.00 AKR1B1 (0.84) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1838241 1.00 AKR1B1 (0.84) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL4204219 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL17812647 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL4929080 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Sebacic Acid SCHEMBL11510695 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL43379 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL1275148 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL18076283 0.97 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA

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-20030225240-A1 Modified urethane compositions containing adducts of O-phthalic anhydride ester polyols UNIROYAL CHEMICAL COMPANY, INC. 2003-12-04 US claimed
US-20030225240-A1 Modified urethane compositions containing adducts of O-phthalic anhydride ester polyols UNIROYAL CHEMICAL COMPANY, INC. 2003-12-04 US disclosed