SCHEMBL2124505

SCHEMBL2124505

C#CCCCCC#CC(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
PTPN7 P35236 5/20 0.34
HMGCR P04035 3/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL2123956 0.89 PTPN7 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL995772 0.83 PTPN7 (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL2122055 0.80 HMGCR (0.44) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL28403897 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL16939030 0.75
SCHEMBL28126747 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL9551574 0.74 CYP1A2 (0.56) ALDH1A1KDM4EHPGDMAPTCYP1A2
Oxalic Acid SCHEMBL30913846 0.70 HSD17B10 (0.56) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL17227868 0.69 NAAA (0.59) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL6156439 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442783-B1 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET SA (FR) 2017-08-09 EP claimed
US-9265852-B2 Deordorising compositions and deodorising products containing same ROBERTET S.A. (FR) 2016-02-23 US claimed
US-20120201778-A1 NOVEL DEORDORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2012-08-09 US claimed
EP-2442783-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME Robertet S.A. (FR) 2012-04-25 EP claimed
WO-2010146258-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2010-12-23 WO claimed
EP-2442783-B1 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET SA (FR) 2017-08-09 EP disclosed
US-9265852-B2 Deordorising compositions and deodorising products containing same ROBERTET S.A. (FR) 2016-02-23 US disclosed
US-20120201778-A1 NOVEL DEORDORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2012-08-09 US disclosed
EP-2442783-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME Robertet S.A. (FR) 2012-04-25 EP disclosed
WO-2010146258-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2010-12-23 WO disclosed