Adipic Acid

Adipic Acid

SCHEMBL5874822

CCNCC.CCNCC.O=C(O)CCCCC(=O)O

nearest known ligand 0.62

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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
AKR1B1 P15121 1/20 0.62
LMNA P02545 2/20 0.61
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 5/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59

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 SCHEMBL5874828 1.00 AKR1B1 (0.62) AKR1B1LMNAGPR84PPARGPPARD
Azelaic Acid SCHEMBL4399605 0.97 GPR84 (0.64) AKR1B1LMNAGPR84PPARGPPARD
Sebacic Acid SCHEMBL5875424 0.97 GPR84 (0.64) AKR1B1LMNAGPR84PPARGPPARD
Sebacic Acid SCHEMBL5875420 0.97 GPR84 (0.64) AKR1B1LMNAGPR84PPARGPPARD
Glutarate SCHEMBL5875264 0.94 SLC22A6 (0.61) AKR1B1LMNAGPR84PPARGPPARD
Glutarate SCHEMBL5875257 0.94 SLC22A6 (0.61) AKR1B1LMNAGPR84PPARGPPARD
Hexanoate SCHEMBL5875370 0.93 AKR1B1 (0.76) AKR1B1LMNAGPR84PPARGPPARD
Octanoic Acid SCHEMBL5183856 0.91 GPR84 (0.77) AKR1B1LMNAGPR84PPARGPPARD
Palmitic Acid SCHEMBL10533983 0.91 GPR84 (0.77) AKR1B1LMNAGPR84PPARGPPARD
Stearic Acid SCHEMBL557515 0.91 GPR84 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4376713-A MONO-DIORTRIALKYLAMMONIUM ADIPATE SPRAGUE ELECTRIC COMPANY (US) 1983-03-15 US disclosed