SCHEMBL6658484

SCHEMBL6658484

CCC=CCOc1ccc(-c2ccc(C#N)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.36
INPPL1 O15357 1/20 0.36
APP P05067 2/20 0.36
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
METAP2 P50579 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6658480 1.00 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6661811 0.99 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6661817 0.99 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6659511 0.91 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6659506 0.91 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6659775 0.90 PGR (0.35) PGRINPPL1APPNR3C1AR
SCHEMBL6659763 0.90 PGR (0.35) PGRINPPL1APPNR3C1AR
SCHEMBL6658845 0.88 PGR (0.37) PGRINPPL1APPNR3C1AR
SCHEMBL6658838 0.88 PGR (0.37) PGRINPPL1APPNR3C1AR
SCHEMBL6662308 0.87 CYP1A2 (0.36) PGRINPPL1APPNR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165721-B1 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LTD (GB) 2004-08-04 EP disclosed
US-6696110-B1 THERMOGRAPHY QINETIQ LIMITED (GB) 2004-02-24 US disclosed
EP-1165721-A2 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING THE SECRETARY OF STATE FOR DEFENCE (GB) 2002-01-02 EP disclosed
WO-2000060027-A2 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LIMITED (GB) 2000-10-12 WO disclosed