Sebacic Acid

Sebacic Acid

SCHEMBL6691759

CC(C)(CCCCCCCCCCCCC(C)(C)C(=O)O)C(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.61
ACACB O00763 1/20 0.59
ACACA Q13085 1/20 0.59
TSHR P16473 5/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 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
SCHEMBL14809777 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL14810000 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL6691762 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL14809190 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL2457383 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL2337342 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL15463466 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL14809101 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL4993301 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA
SCHEMBL810904 1.00 ACLY (0.61) ACLYACACBACACATSHRLMNA

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-20040171688-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them BAR-TANA JACOB (IL) 2004-09-02 US disclosed
US-20020037876-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM 2002-03-28 US disclosed
US-6303653-B1 THERAPY OF HEPATOCYTE NUCLEAR FACTOR-4.ALPHA..SUP.1 (HNF-4) MEDIATED DISEASE BY ADMINISTERING CARBOXYLIC ACID OR ITS DERIVATIVE WHICH INHIBITS HNF-4 CONTROLLED TRANSCRIPTION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-16 US disclosed