Adipic Acid

SCHEMBL7761237

CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.CCC(CO)(CO)CO.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC18A2 SLC6A2 SLC6A3

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)

	gene	UniProt	supporting neighbours	confidence
▸	AKR1B1	P15121	1/20	0.54

▸	LMNA	P02545	2/20	0.52

▸	GPR84	Q9NQS5	8/20	0.52

▸	PPARG	P37231	7/20	0.52

▸	PPARD	Q03181	7/20	0.52

▸	PPARA	Q07869	7/20	0.52

▸	HDAC11	Q96DB2	5/20	0.52

▸	TSHR	P16473	5/20	0.52

▸	PTPN1	P18031	3/20	0.52

▸	ALDH1A1	P00352	2/20	0.52

▸	TLR2	O60603	2/20	0.52

▸	TDP1	Q9NUW8	2/20	0.52

▸	FABP4	P15090	2/20	0.52

▸	FFAR1	O14842	2/20	0.52

▸	FFAR4	Q5NUL3	2/20	0.52

▸	KMT2A	Q03164	2/20	0.52

▸	SLC22A6	Q4U2R8	1/20	0.52

▸	SLC22A8	Q8TCC7	1/20	0.52

▸	MEN1	O00255	1/20	0.52

▸	ESR1	P03372	1/20	0.52

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.

Compound	similarity	top predicted	shared targets
Adipic Acid SCHEMBL536473	1.00	AKR1B1 (0.54)	AKR1B1LMNAGPR84PPARGPPARD
Adipic Acid SCHEMBL536569	1.00	AKR1B1 (0.54)	AKR1B1LMNAGPR84PPARGPPARD
Adipic Acid SCHEMBL536500	1.00	AKR1B1 (0.54)	AKR1B1LMNAGPR84PPARGPPARD
Sebacic Acid SCHEMBL28022260	0.98	GPR84 (0.56)	AKR1B1LMNAGPR84PPARGPPARD
Sebacic Acid SCHEMBL30609025	0.98	GPR84 (0.56)	AKR1B1LMNAGPR84PPARGPPARD
Sebacic Acid SCHEMBL30609024	0.98	GPR84 (0.56)	AKR1B1LMNAGPR84PPARGPPARD
Azelaic Acid SCHEMBL29613216	0.98	GPR84 (0.56)	AKR1B1LMNAGPR84PPARGPPARD
Adipic Acid SCHEMBL27794616	0.96	GPR84 (0.50)	AKR1B1LMNAGPR84PPARGPPARD
Adipic Acid SCHEMBL28823811	0.95	AKR1B1 (0.54)	AKR1B1LMNAGPR84PPARGPPARD
Glutarate SCHEMBL15090393	0.95	SLC22A6 (0.52)	AKR1B1LMNAGPR84PPARGPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1102830-A1	WATER-MISCIBLE COOLING LUBRICANT CONCENTRATE	Fuchs Petrolub AG (DE)	2001-05-30	—	—	EP	disclosed
WO-2000006675-A1	WATER-MISCIBLE COOLING LUBRICANT CONCENTRATE	FUCHS PETROLUB AG (DE)	2000-02-10	—	—	WO	disclosed