Octanedioate

Octanedioate

SCHEMBL4585405

O=C(O)CCC(=O)NO.O=C(O)CCC(=O)NO.O=C(O)CCCCCCC(=O)O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.80
KDM4E B2RXH2 1/20 0.80
KDM6B O15054 1/20 0.80
KDM5C P41229 1/20 0.80
EGLN1 Q9GZT9 1/20 0.80
PHF8 Q9UPP1 1/20 0.80
KDM2A Q9Y2K7 1/20 0.80
HDAC3 O15379 2/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC5 Q9UQL6 1/20 0.67
TSHR P16473 4/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
HSP90AA1 P07900 1/20 0.54
GPR84 Q9NQS5 4/20 0.50
FFAR1 O14842 2/20 0.50

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
SCHEMBL4539424 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL2315796 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
Octanedioate SCHEMBL2356845 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4536829 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4539034 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4538971 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4529794 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4525556 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4539077 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1
SCHEMBL4521972 0.92 HDAC1 (0.79) FOLH1KDM4EKDM6BKDM5CEGLN1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459483-B2 Method and device for detecting fumigants in air samples KANESHO SOIL TREATMENT SPRL/BVBA (BE) 2008-12-02 US disclosed
US-20040079651-A1 Method and device for detecting fumigants in air samples KANESHO SOIL TREATMENT SPRL/BVBA (BE) 2004-04-29 US disclosed