Octanedioate

Octanedioate

SCHEMBL7080168

O=C(O)CCCCCCC(=O)O.O=C1CCC(=O)N1N1C(=O)CCC1=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
GPR84 Q9NQS5 4/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
F13A1 P00488 3/20 0.45
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
HDAC11 Q96DB2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
Octanedioate SCHEMBL1394807 0.84 TSHR (0.52) TSHRLMNANFKB1PMP22MEN1
Octanedioate SCHEMBL6037661 0.84 TSHR (0.52) TSHRLMNANFKB1PMP22MEN1
Sebacic Acid SCHEMBL28228671 0.84 TSHR (0.52) TSHRLMNANFKB1PMP22MEN1
Azelaic Acid SCHEMBL28918234 0.84 TSHR (0.52) TSHRLMNANFKB1PMP22MEN1
Adipic Acid SCHEMBL29427201 0.82 LMNA (0.50) TSHRLMNANFKB1PMP22MEN1
Adipic Acid SCHEMBL906129 0.82 LMNA (0.50) TSHRLMNANFKB1PMP22MEN1
SCHEMBL7259687 0.81 PTGS1 (0.61) TSHRLMNANFKB1PMP22MEN1
SCHEMBL5698003 0.81 PTGS1 (0.61) TSHRLMNANFKB1PMP22MEN1
SCHEMBL1618771 0.81 PTGS1 (0.61) TSHRLMNANFKB1PMP22MEN1
SCHEMBL5697933 0.81 PTGS1 (0.61) TSHRLMNANFKB1PMP22MEN1

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
EP-0684956-B1 ACYLATED PROTEIN AGGREGATES AND THEIR USE IN ENHANCING SIGNALS IN AN IMMUNOASSAY TESTING FOR ANTIBODIES ROCHE DIAGNOSTICS GMBH (DE) 2003-07-16 EP disclosed
EP-0684956-A1 ACYLATED PROTEIN AGGREGATES AND THEIR USE IN ENHANCING SIGNALS IN AN IMMUNOASSAY TESTING FOR ANTIBODIES Roche Diagnostics GmbH (DE) 1995-12-06 EP disclosed
WO-1995017427-A1 ACYLATED PROTEIN AGGREGATES AND THEIR USE IN ENHANCING SIGNALS IN AN IMMUNOASSAY TESTING FOR ANTIBODIES BOEHRINGER MANNHEIM GMBH (DE) 1995-06-29 WO disclosed