SCHEMBL996772

SCHEMBL996772

CC(=O)CC(=O)C#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
VCP P55072 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP3 Q96P20 1/20 0.44
FFAR1 O14842 4/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
AGTR1 P30556 1/20 0.42
PAX8 Q06710 1/20 0.42
TLR9 Q9NR96 1/20 0.42
PAM P19021 1/20 0.42
APP P05067 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 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
SCHEMBL16803426 0.88 NPSR1 (0.53) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL2123773 0.80 NPSR1 (0.55) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL7125844 0.79 NPSR1 (0.53) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL3986962 0.77 VCP (0.42) NPSR1VCPNPC1RAB9AMEN1
4-Phenyl-3-Butyn-2-One SCHEMBL433104 0.77 NPSR1 (0.61) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL14969612 0.77 NPC1 (0.54) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL6312804 0.76 NPSR1 (0.50) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL16803357 0.76 FFAR1 (0.52) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL16803423 0.76 NPSR1 (0.50) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL23771048 0.76 NPSR1 (0.55) NPSR1VCPNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2272491-A1 New deodorising compositions and deodorant products containing them Robertet S.A. (FR) 2011-01-12 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
EP-2272491-A1 New deodorising compositions and deodorant products containing them Robertet S.A. (FR) 2011-01-12 EP disclosed
WO-2010146258-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2010-12-23 WO disclosed