Sebacic Acid

Sebacic Acid

SCHEMBL2220001

O=C(O)CCCCCCCCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.OCCCO

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Sebacic 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
GPR84 Q9NQS5 1/20 0.60
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
CAMK2A Q9UQM7 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 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
Sebacic Acid SCHEMBL78409 0.96 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AHDAC3
Sebacic Acid SCHEMBL28904447 0.96 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AHDAC3
Terephthalic Acid SCHEMBL27915155 0.96 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AHDAC3
Sebacic Acid SCHEMBL28058541 0.96 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AHDAC3
Sebacic Acid SCHEMBL6854591 0.94 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2AHDAC3
Azelaic Acid SCHEMBL739682 0.94 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2AHDAC3
Sebacic Acid SCHEMBL29140956 0.94 GPR84 (0.56) GPR84FFAR1FFAR4CAMK2AHDAC3
Terephthalic Acid SCHEMBL6703188 0.94 GPR84 (0.62) GPR84FFAR1FFAR4CAMK2AHDAC3
Terephthalic Acid SCHEMBL27987241 0.94 GPR84 (0.62) GPR84FFAR1FFAR4CAMK2AHDAC3
Terephthalic Acid SCHEMBL2420617 0.91 TSHR (0.55) GPR84FFAR1FFAR4CAMK2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415021-B2 Biodegradable starch-containing composition with improved tear strength E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-09 US disclosed
US-8409677-B2 Biodegradable starch-containing blend E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 US disclosed
WO-2011090964-A1 BIODEGRADABLE STARCH-CONTAINING COMPOSITION WITH IMPROVED TEAR STRENGTH E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-28 WO disclosed
WO-2011091130-A1 BIODEGRADABLE STARCH-CONTAINING BLEND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-28 WO disclosed
US-20110177269-A1 BIODEGRADABLE STARCH-CONTAINING COMPOSITION WITH IMPROVED TEAR STRENGTH E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 US disclosed
US-20110177275-A1 BIODEGRADABLE STARCH-CONTAINING BLEND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 US disclosed