Adipic Acid

Adipic Acid

SCHEMBL28138263

O=C(O)CCCCC(=O)O.O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

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
POLB P06746 2/20 0.66
MAPK1 P28482 1/20 0.66
SRD5A2 P31213 2/20 0.62
CES1 P23141 2/20 0.62
CES2 O00748 1/20 0.62
ALOX5 P09917 1/20 0.59
PPARA Q07869 1/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50

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 SCHEMBL28137774 0.93 POLB (0.70) POLBMAPK1SRD5A2CES1CES2
SCHEMBL28146457 0.93 POLB (0.57) POLBMAPK1SRD5A2CES1CES2
Hexanoate SCHEMBL27686701 0.93 POLB (0.57) POLBMAPK1SRD5A2CES1CES2
Stearic Acid SCHEMBL28224714 0.92 ALDH1A1 (0.57) POLBMAPK1SRD5A2CES1CES2
Dodecanoate SCHEMBL28158995 0.92 ALDH1A1 (0.57) POLBMAPK1SRD5A2CES1CES2
Myristic Acid SCHEMBL28224713 0.92 ALDH1A1 (0.57) POLBMAPK1SRD5A2CES1CES2
Octanoic Acid SCHEMBL27955224 0.92 ALDH1A1 (0.57) POLBMAPK1SRD5A2CES1CES2
Palmitic Acid SCHEMBL27914712 0.92 ALDH1A1 (0.57) POLBMAPK1SRD5A2CES1CES2
SCHEMBL229627 0.88 POLB (0.82) POLBMAPK1SRD5A2CES1CES2
Benzophenone SCHEMBL28231509 0.88 POLB (0.82) POLBMAPK1SRD5A2CES1CES2

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-106879257-A For the vaccine of streptococcus pneumonia (Streptococcus pneumoniae) Serotype8 马普科技促进协会 2017-06-20 CN disclosed