SCHEMBL6661555

SCHEMBL6661555

C/C=C/COc1ccc(-c2ccc(-c3ccc(C#N)s3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.36
INPPL1 O15357 1/20 0.36
APP P05067 3/20 0.36
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MMP2 P08253 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL6661562 1.00 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6658838 0.99 PGR (0.37) PGRINPPL1APPNR3C1AR
SCHEMBL6658845 0.99 PGR (0.37) PGRINPPL1APPNR3C1AR
SCHEMBL6661811 0.88 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6661817 0.88 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6659775 0.87 PGR (0.35) PGRINPPL1APPNR3C1AR
SCHEMBL6659763 0.87 PGR (0.35) PGRINPPL1APPNR3C1AR
SCHEMBL6658480 0.86 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6658484 0.86 PGR (0.36) PGRINPPL1APPNR3C1AR
SCHEMBL6663150 0.86 MMP2 (0.37) PGRINPPL1MMP2MMP1MMP3

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 2 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