Adipic Acid

Adipic Acid

SCHEMBL2780883

CCC(O)COC(C)CO.CCCC(O)COC(C)CO.O=C(O)CCCCC(=O)O

nearest known ligand 0.44

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
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 2/20 0.44
ALDH1A1 P00352 3/20 0.40
AKR1B1 P15121 1/20 0.38
TBXAS1 P24557 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
LMNA P02545 1/20 0.37
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 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
Succinic Acid SCHEMBL2782794 0.94 FFAR4 (0.36) FFAR4FFAR1ALDH1A1TBXAS1MEN1
Adipic Acid SCHEMBL2781429 0.92 FFAR4 (0.56) FFAR4FFAR1ALDH1A1AKR1B1TBXAS1
Adipic Acid SCHEMBL2782511 0.90 FFAR4 (0.58) FFAR4FFAR1ALDH1A1AKR1B1TBXAS1
Succinic Acid SCHEMBL2780255 0.87 FFAR4 (0.50) FFAR4FFAR1AKR1B1TBXAS1MEN1
SCHEMBL9995061 0.86 TSHR (0.37) LMNATSHRTDP1
Succinic Acid SCHEMBL2785641 0.86 FFAR4 (0.51) FFAR4FFAR1AKR1B1TBXAS1MEN1
Dodecanoate SCHEMBL9615275 0.83 FFAR4 (0.60) FFAR4FFAR1ALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL9720467 0.83 TSHR (0.34) FFAR4FFAR1MEN1KMT2AKDM4E
SCHEMBL8491683 0.82 FFAR4 (0.53) FFAR4FFAR1ALDH1A1MEN1KMT2A
SCHEMBL1959443 0.81 TSHR (0.41) MEN1KMT2AKDM4EDUSP3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202267-B1 Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition DAIHACHI CHEM IND (JP) 2011-12-07 EP claimed
EP-2202267-A1 Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-06-30 EP claimed
US-7166654-B2 Ester compound, plasticizer for biodegradable aliphatic polyester resin, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-23 US claimed
EP-2202267-B1 Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition DAIHACHI CHEM IND (JP) 2011-12-07 EP disclosed
EP-2202267-A1 Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-06-30 EP disclosed
US-7166654-B2 Ester compound, plasticizer for biodegradable aliphatic polyester resin, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-23 US disclosed
US-20050228092-A1 Ester compound, plasticizer for bioegradable aliphatic polyester resin, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-10-13 US disclosed