Adipic Acid

Adipic Acid

SCHEMBL17822302

O=C(O)CCCCC(=O)O.O=C1CC(O)C(=O)N1

nearest known ligand 0.41

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
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 4/20 0.40
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
ABL1 P00519 2/20 0.39
IDE P14735 2/20 0.39
RIN1 Q13671 2/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGB2 P05107 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGAL P20701 1/20 0.37
MAP3K14 Q99558 1/20 0.36

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
Octanedioate SCHEMBL6037701 0.98 TSHR (0.43) LMNATDP1TSHRNFKB1PMP22
Glutarate SCHEMBL28187765 0.96 SLC22A6 (0.41) LMNATDP1TSHRNFKB1PMP22
Succinic Acid SCHEMBL28474102 0.92 ITGB1 (0.39) LMNATDP1TSHRABL1IDE
Hexanoate SCHEMBL8822104 0.92 AKR1B1 (0.50) LMNATDP1TSHRPPARGSLC22A6
Glutarate SCHEMBL25424321 0.91 CAMK2A (0.38) LMNATDP1TSHRNFKB1PMP22
Butyric Acid SCHEMBL9430625 0.86 FFAR3 (0.45) LMNATDP1TSHRPPARGITGB3
SCHEMBL28691314 0.84 PTGS1 (0.61) LMNAMEN1PKMMAPK1KMT2A
SCHEMBL16653758 0.83 HDAC4 (0.36) TDP1TSHRABL1IDERIN1
SCHEMBL28269976 0.83 PTGS1 (0.64) LMNAMEN1PKMMAPK1KMT2A
Chloroacetic Acid SCHEMBL23933671 0.83 TSHR (0.39) TDP1TSHRITGB3ITGB2ITGB1

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
EP-3717498-A1 VACCINE AGAINSTKLEBSIELLA PNEUMONIAE Vaxxilon AG (CH) 2020-10-07 EP disclosed
EP-3230297-A1 VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE SEROTYPE 4 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-10-18 EP disclosed
WO-2016091399-A1 VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE SEROTYPE 4 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-06-16 WO disclosed