Adipic Acid

Adipic Acid

SCHEMBL9801796

Cc1ccc(N(CC(C)O)CC(C)O)cc1.O=C(O)CCCCC(=O)O

nearest known ligand 0.43

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
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
GABRA1 P14867 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL83496 0.85 CYP2C19 (0.44) KMT2ATSHRALDH1A1CRHBPCRHR2
SCHEMBL17075279 0.84 KEAP1 (0.46) L3MBTL1SMN1; SMN2KEAP1NFE2L2CYP2C19
SCHEMBL17800251 0.79 CRHBP (0.41) KMT2ATSHRALDH1A1LMNAMAPT
Adipic Acid SCHEMBL27731397 0.77 KMT2A (0.61) L3MBTL1KMT2ATSHRALDH1A1LMNA
Adipic Acid SCHEMBL3804252 0.77 KMT2A (0.61) L3MBTL1KMT2ATSHRALDH1A1LMNA
Azelaic Acid SCHEMBL3807504 0.75 TSHR (0.60) L3MBTL1KMT2ATSHRALDH1A1LMNA
Sebacic Acid SCHEMBL28279615 0.75 TSHR (0.60) L3MBTL1KMT2ATSHRALDH1A1LMNA
P-Xylene SCHEMBL36101 0.75 TSHR (0.60) L3MBTL1KMT2ATSHRALDH1A1LMNA
Sebacic Acid SCHEMBL36102 0.75 TSHR (0.60) L3MBTL1KMT2ATSHRALDH1A1LMNA
SCHEMBL7145665 0.75 TAS2R14 (0.46) L3MBTL1KMT2ATSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255595-B1 METHOD FOR PRODUCING MOULDED LOW-TENSION COMPONENTS BAYER AG (DE) 1991-12-27 EP disclosed
EP-0254174-B1 USE OF CURABLE REACTIVE MASSES IN THE PREPARATION OF SUPPORT OF DATA BAYER AG (DE) 1991-08-28 EP disclosed
EP-0254184-B1 USE OF CURABLE REACTIVE MASSES IN THE PREPARATION OF DATA SUPPORTS BAYER AG (DE) 1991-03-13 EP disclosed
US-4908216-A Apparatus for the production of low tension moulded parts BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed