Adipic Acid

Adipic Acid

SCHEMBL6740995

O=C(O)CCCCC(=O)O.OCCCCOCC(O)CO

nearest known ligand 0.51

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 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
FFAR4 Q5NUL3 2/20 0.50
GPR84 Q9NQS5 1/20 0.50
FFAR1 O14842 1/20 0.50
CAMK2A Q9UQM7 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
DUSP3 P51452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G2C Q5R387 2/20 0.38
TSHR P16473 2/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL28203478 0.95 USP2 (0.56) USP2FFAR4GPR84FFAR1CAMK2A
SCHEMBL7157613 0.93 USP2 (0.59) USP2FFAR4GPR84FFAR1ALDH1A1
SCHEMBL6653958 0.93 USP2 (0.59) USP2FFAR4GPR84FFAR1ALDH1A1
SCHEMBL18363555 0.91 FFAR1 (0.57) USP2FFAR4GPR84FFAR1CAMK2A
SCHEMBL946974 0.89 USP2 (0.53) USP2FFAR4GPR84FFAR1CAMK2A
Adipic Acid SCHEMBL7743772 0.87 USP2 (0.47) USP2FFAR4GPR84FFAR1CAMK2A
Adipic Acid SCHEMBL347426 0.86 USP2 (0.43) USP2FFAR4GPR84FFAR1CAMK2A
Palmitic Acid SCHEMBL28358922 0.86 USP2 (0.71) USP2FFAR4GPR84FFAR1ALDH1A1
Decanoic Acid SCHEMBL28285361 0.86 USP2 (0.71) USP2FFAR4GPR84FFAR1ALDH1A1
Dodecanoate SCHEMBL394038 0.85 USP2 (0.75) USP2FFAR4GPR84FFAR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040091982-A1 Isocyanate free polyurethane production process via carbamate polyesterification BAXENDEN CHEMICALS LIMITED (GB) 2004-05-13 US disclosed
EP-1368409-A1 ISOCYANATE FREE POLYURETHANE PRODUCTION PROCESS VIA CARBAMATE POLYESTERIFICATION BAXENDEN CHEMICALS LIMITED (GB) 2003-12-10 EP disclosed
WO-2002057338-A1 ISOCYANATE FREE POLYURETHANE PRODUCTION PROCESS VIA CARBAMATE POLYESTERIFICATION BAXENDEN CHEMICALS LIMITED (GB) 2002-07-25 WO disclosed