SCHEMBL1712781

SCHEMBL1712781

C#CC(CCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.48
NFKB1 P19838 2/20 0.48
TSHR P16473 2/20 0.48
PMP22 Q01453 1/20 0.48
GSTK1 Q9Y2Q3 2/20 0.46
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GPR84 Q9NQS5 2/20 0.41
ENPEP Q07075 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL2261654 1.00 CYP2D6 (0.50) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1712974 0.92 LMNA (0.47) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16836648 0.83 CYP2D6 (0.56) CYP2D6MAPTCYP1A2LMNANFKB1
SCHEMBL23829652 0.78 GPR84 (0.50) MAPTFFAR4FFAR1GPR84
SCHEMBL1713102 0.77 FFAR4 (0.46) HSD17B10LMNANFKB1TSHRPMP22
SCHEMBL25272157 0.75 CYP2D6 (0.48) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25272156 0.75 CYP2D6 (0.48) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7910158 0.73 TSHR (0.63) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL15346300 0.73 TSHR (0.63) CYP2D6MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7913017 0.73 TSHR (0.63) CYP2D6MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344568-B1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2017-12-20 EP claimed
US-8492507-B2 Acetylenic polyamide NEXAM CHEMICAL AB (SE) 2013-07-23 US claimed
CN-102159622-A Acetylenic polyamide NEXAM CHEMICAL AB 2011-08-17 CN claimed
US-20110190469-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2011-08-04 US claimed
EP-2344568-A1 ACETYLENIC POLYAMIDE Nexam Chemical AB (SE) 2011-07-20 EP claimed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO claimed
EP-2344568-B1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2017-12-20 EP disclosed
US-8492507-B2 Acetylenic polyamide NEXAM CHEMICAL AB (SE) 2013-07-23 US disclosed
CN-102159622-A Acetylenic polyamide NEXAM CHEMICAL AB 2011-08-17 CN disclosed
US-20110190469-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2011-08-04 US disclosed
EP-2344568-A1 ACETYLENIC POLYAMIDE Nexam Chemical AB (SE) 2011-07-20 EP disclosed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO disclosed
WO-2010036175-A1 MOULDED ARTICLE OBTAINED FROM ACETYLENIC POLYAMIDE NEXAM CHEMICALS (SE) 2010-04-01 WO disclosed