Adipic Acid

Adipic Acid

SCHEMBL28083755

C=CC(=O)OC.CC(C)(CO)CO.O=C(O)CCCCC(=O)O

nearest known ligand 0.40

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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
TSHR P16473 5/20 0.40
ALDH1A1 P00352 5/20 0.39
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 3/20 0.37
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
GPR84 Q9NQS5 4/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
AKR1B1 P15121 1/20 0.35
PPARG P37231 5/20 0.34
PPARD Q03181 5/20 0.34
PPARA Q07869 5/20 0.34
HDAC11 Q96DB2 4/20 0.34

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 SCHEMBL27503459 0.90 TSHR (0.40) TSHRALDH1A1ABCC4MAPTTP53
Sebacic Acid SCHEMBL27555093 0.89 ALDH1A1 (0.42) TSHRALDH1A1ABCC4MAPTLMNA
Adipic Acid SCHEMBL27503108 0.88 ALDH1A1 (0.46) TSHRALDH1A1ABCC4MAPTTP53
Adipic Acid SCHEMBL27649162 0.88 TSHR (0.50) TSHRALDH1A1ABCC4MAPTLMNA
Acrylic Acid Methyl Ester SCHEMBL27544299 0.88 ALDH1A1 (0.45) TSHRALDH1A1TP53CYP3A4MAPK1
Sebacic Acid SCHEMBL27488122 0.87 ALDH1A1 (0.44) TSHRALDH1A1ABCC4MAPTTP53
Pimelic Acid SCHEMBL28082958 0.87 ALDH1A1 (0.44) TSHRALDH1A1ABCC4MAPTTP53
Pimelic Acid SCHEMBL28832352 0.85 ALDH1A1 (0.43) TSHRALDH1A1ABCC4MAPTTP53
Sebacic Acid SCHEMBL28083155 0.85 ALDH1A1 (0.43) TSHRALDH1A1ABCC4MAPTTP53
Pivalate SCHEMBL27599809 0.84 ALDH1A1 (0.40) TSHRALDH1A1TP53CYP3A4MAPK1

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-105829999-A Optical sheet, conductive sheet, and display device provided with same 王子控股株式会社 2016-08-03 CN disclosed