Octanedioate

Octanedioate

SCHEMBL6037701

O=C(O)CCCCCCC(=O)O.O=C1CC(O)C(=O)N1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARG P37231 7/20 0.41
ABL1 P00519 1/20 0.41
IDE P14735 1/20 0.41
RIN1 Q13671 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
F13A1 P00488 3/20 0.38
GPR84 Q9NQS5 6/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TLR2 O60603 2/20 0.36

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 SCHEMBL17822302 0.98 LMNA (0.41) TSHRLMNANFKB1PMP22PPARG
Glutarate SCHEMBL28187765 0.95 SLC22A6 (0.41) TSHRLMNANFKB1PMP22PPARG
Succinic Acid SCHEMBL28474102 0.91 ITGB1 (0.39) TSHRLMNAPPARGABL1IDE
Hexanoate SCHEMBL8822104 0.90 AKR1B1 (0.50) TSHRLMNAPPARGTDP1GPR84
Glutarate SCHEMBL25424321 0.90 CAMK2A (0.38) TSHRLMNANFKB1PMP22PPARG
SCHEMBL28269976 0.85 PTGS1 (0.64) LMNAALDH1A1MEN1KMT2ARECQL
Butyric Acid SCHEMBL9430625 0.84 FFAR3 (0.45) TSHRLMNAPPARGTDP1GPR84
SCHEMBL28691314 0.83 PTGS1 (0.61) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL16653758 0.82 HDAC4 (0.36) TSHRPPARGABL1IDERIN1
Chloroacetic Acid SCHEMBL23933671 0.81 TSHR (0.39) TSHRTDP1ALDH1A1MEN1KMT2A

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
WO-2006019424-A2 STABLE AQUEOUS COLLOIDAL LANTHANIDE OXIDES BIOPHYSICS ASSAY LABORATORY, INC. (US) 2006-02-23 WO claimed
CN-109592962-A A kind of bionical ternary system graphene-black phosphorus nanocomposite films preparation method 北京航空航天大学 2019-04-09 CN disclosed
WO-2006019424-A2 STABLE AQUEOUS COLLOIDAL LANTHANIDE OXIDES BIOPHYSICS ASSAY LABORATORY, INC. (US) 2006-02-23 WO disclosed