Adipic Acid

Adipic Acid

SCHEMBL28878629

N.N.N.N.N.N.N.N.O=C(O)CCCCC(=O)O.O=C(OP(=O)(O)O)OP(=O)(O)O.O=C(OP(=O)(O)O)OP(=O)(O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.48

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 2/20 0.48
TSHR P16473 5/20 0.46
NFKB1 P19838 2/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 3/20 0.43
SLC22A6 Q4U2R8 2/20 0.42
GPR84 Q9NQS5 5/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
AKR1B1 P15121 1/20 0.39
CYP2D6 P10635 1/20 0.39
FOLH1 Q04609 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38

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
Ammonia Solution, Strong SCHEMBL27518989 0.81 CA4 (0.50) TDP1BLM
Adipic Acid SCHEMBL28332289 0.80 LMNA (0.50) LMNATSHRNFKB1PMP22ALDH1A1
SCHEMBL4637032 0.80 LMNA (0.50) LMNATSHRNFKB1PMP22ALDH1A1
Adipic Acid SCHEMBL1408901 0.78 LMNA (0.69) LMNATSHRNFKB1PMP22ALDH1A1
Adipic Acid SCHEMBL1408899 0.78 LMNA (0.69) LMNATSHRNFKB1PMP22ALDH1A1
SCHEMBL27637160 0.78 CA4 (0.53) TDP1BLM
SCHEMBL28105310 0.78 CA4 (0.53) TDP1BLM
Ammonia Solution, Strong SCHEMBL28204706 0.78 CA4 (0.53) TDP1BLM
SCHEMBL28806771 0.78 CA4 (0.53) TDP1BLM
SCHEMBL8375010 0.78 CA4 (0.53) TDP1BLM

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-110367268-A A kind of regulation composition and its application for citrus flower and fruit protecting 江西新瑞丰生化股份有限公司 2019-10-25 CN disclosed