Adipic Acid

Adipic Acid

SCHEMBL29124681

CCOC(=O)CC(C)O.O=C(O)CCCCC(=O)O

nearest known ligand 0.45

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 0.43
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 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
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 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
Succinic Acid SCHEMBL29021088 0.92 MGAM (0.43) MAPTTSHRALDH1A1TDP1ALOX15
3-Hydroxybutyric Acid, (+/-)- SCHEMBL28299898 0.86 MGAM (0.44) MAPTTSHRALDH1A1TDP1SLC22A6
SCHEMBL76382 0.86
SCHEMBL434191 0.86
SCHEMBL54111 0.86
SCHEMBL2046528 0.85 ALDH1A1 (0.47) AKR1B1MAPTGPR84PPARGPPARD
SCHEMBL27668114 0.84 MGAM (0.50) MAPTTSHRALDH1A1TDP1ALOX15
SCHEMBL27522306 0.84
SCHEMBL727456 0.83 TSHR (0.41) AKR1B1MAPTTSHRALDH1A1FFAR1
SCHEMBL20798165 0.83 TSHR (0.41) AKR1B1MAPTTSHRALDH1A1FFAR1

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-116917264-A Process for preparing hydroxybutyric acid carboxylic ester 凯托利皮克斯治疗有限责任公司 2023-10-20 CN disclosed