SCHEMBL13891772

SCHEMBL13891772

C=CC(=O)Cc1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(C)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
HSD11B1 P28845 2/20 0.32
HSD11B2 P80365 2/20 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
SCHEMBL13891774 0.97 ADORA3 (0.37) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL13891747 0.84 ITGB1 (0.35) ADORA3NPC1RAB9AHRH3MEN1
SCHEMBL9915744 0.81 ADORA3 (0.40) ADORA3KMT2APPARAESR1ESR2
SCHEMBL13891765 0.81 ADORA3 (0.37) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL13879209 0.80 ESR1 (0.44) ADORA3RAB9AALDH1A1ESR1ESR2
SCHEMBL10005769 0.80 ESR1 (0.44) ADORA3RAB9AALDH1A1ESR1ESR2
SCHEMBL12149050 0.79 THRB (0.39) ADORA3CNR2CNR1ALDH1A1
SCHEMBL12151362 0.78 CNR2 (0.40) ADORA3CNR2CNR1
SCHEMBL12755179 0.77 ADORA3 (0.43) ADORA3KMT2APPARAALDH1A1ESR1
SCHEMBL9915742 0.77 ADORA3 (0.43) ADORA3KMT2APPARAALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517625-B2 Electrophotographic photoreceptor with improved durability and wear resistance; high quality latent images; crosslinked charge transport layer has a hardened monomer having three or more functional groups without charge transport structure and one with charge transport-containing (meth)acryloyloxy groups RICOH COMPANY, LTD. (JP) 2009-04-14 US disclosed