Adipic Acid

Adipic Acid

SCHEMBL7530463

NCCNCCN.NCCNCCN.O=C(O)CCCCC(=O)O

nearest known ligand 0.67

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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
SLC6A2 known ✓ P23975 1/20 0.64
SLC6A3 known ✓ Q01959 1/20 0.64
NFKB1 P19838 2/20 0.67
CYP2D6 P10635 1/20 0.67
LMNA P02545 6/20 0.64
KMT2A Q03164 3/20 0.64
BLM P54132 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
THRB P10828 2/20 0.64
MEN1 O00255 2/20 0.64
RECQL P46063 2/20 0.64
ALDH1A1 P00352 2/20 0.64
ALOX15 P16050 2/20 0.64
PLG P00747 1/20 0.64
TSHR P16473 2/20 0.62
GABRR3 A8MPY1 1/20 0.62
GABRP O00591 1/20 0.62
GABRD O14764 1/20 0.62
HDAC3 O15379 1/20 0.62
GABBR2 O75899 1/20 0.62

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
Adipic Acid SCHEMBL394243 1.00 NFKB1 (0.67) NFKB1CYP2D6LMNAKMT2ABLM
Adipic Acid SCHEMBL28031081 0.97 NFKB1 (0.64) NFKB1CYP2D6LMNAKMT2ABLM
Adipic Acid SCHEMBL11873219 0.97 NFKB1 (0.64) NFKB1CYP2D6LMNAKMT2ABLM
Adipic Acid SCHEMBL4681431 0.97 NFKB1 (0.64) NFKB1CYP2D6LMNAKMT2ABLM
Azelaic Acid SCHEMBL11874402 0.97 LMNA (0.68) NFKB1CYP2D6LMNAKMT2ABLM
Pimelic Acid SCHEMBL2519276 0.97 LMNA (0.68) NFKB1CYP2D6LMNAKMT2ABLM
Sebacic Acid SCHEMBL11871548 0.97 LMNA (0.68) NFKB1CYP2D6LMNAKMT2ABLM
Trientine SCHEMBL11876109 0.97 NFKB1 (0.64) NFKB1CYP2D6LMNAKMT2ABLM
Octanedioate SCHEMBL11875738 0.97 LMNA (0.68) NFKB1CYP2D6LMNAKMT2ABLM
SCHEMBL8775200 0.95 NFKB1 (0.61) NFKB1CYP2D6LMNAKMT2ABLM

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
WO-2002022709-A1 HIGHLY BRANCHED WATER-SOLUBLE POLYAMINE OLIGOMERS, PROCESS FOR THEIR PREPARATION AND APPLICATIONS THEREOF EPOX LTD. (IL) 2002-03-21 WO disclosed