Adipic Acid

Adipic Acid

SCHEMBL28294982

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

nearest known ligand 0.50

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
GPR84 Q9NQS5 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
CAMK2A Q9UQM7 1/20 0.48
LMNA P02545 3/20 0.48
DGKA P23743 1/20 0.47
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
PMP22 Q01453 1/20 0.46
MGLL Q99685 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PAM P19021 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
AKR1B1 P15121 1/20 0.39
CYP2D6 P10635 1/20 0.39
FOLH1 Q04609 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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 SCHEMBL28516944 0.98 DGKA (0.48) GPR84FFAR1FFAR4CAMK2ALMNA
SCHEMBL26442 0.98 GPR84 (0.52) GPR84FFAR1FFAR4CAMK2ALMNA
SCHEMBL729520 0.96 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2ALMNA
SCHEMBL176409 0.96 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2ALMNA
Adipic Acid SCHEMBL28895995 0.96 TSHR (0.50) GPR84FFAR1FFAR4CAMK2ALMNA
SCHEMBL4159638 0.96 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2ALMNA
Ammonia Solution, Strong SCHEMBL7134656 0.96 GPR84 (0.50) GPR84FFAR1FFAR4CAMK2ALMNA
Ethylene Glycol SCHEMBL4909367 0.96 GPR84 (0.50) GPR84FFAR1FFAR4CAMK2ALMNA
Water SCHEMBL11810660 0.96 GPR84 (0.50) GPR84FFAR1FFAR4CAMK2ALMNA
SCHEMBL28304556 0.96 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2ALMNA

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-109804112-A BIODEGRADABLE NONWOVEN FABRIC 旭化成株式会社 2019-05-24 CN disclosed