SCHEMBL13891747

SCHEMBL13891747

C=C(C)C(=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
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARA Q07869 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
PTGES O14684 1/20 0.32
ALOX5 P09917 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
SCHEMBL13891765 0.97 ADORA3 (0.37) ADORA3NPC1RAB9ACNR2CNR1
SCHEMBL13891772 0.84 ADORA3 (0.35) ITGB1ITGA4ADORA3NPC1RAB9A
SCHEMBL13891762 0.81 MEN1 (0.47) CNR2CNR1MEN1KMT2APTGES
SCHEMBL13891774 0.81 ADORA3 (0.37) ADORA3NPC1RAB9ACNR2CNR1
SCHEMBL13879209 0.80 ESR1 (0.44) ADORA3RAB9AESR1ESR2HSD11B1
SCHEMBL10005769 0.80 ESR1 (0.44) ADORA3RAB9AESR1ESR2HSD11B1
SCHEMBL12755216 0.80 ADORA3 (0.40) ADORA3KMT2APPARAESR1ESR2
SCHEMBL9915745 0.80 ADORA3 (0.40) ADORA3KMT2APPARAESR1ESR2
SCHEMBL2602480 0.78 CA1 (0.42) ADORA3CNR2CNR1PPARAESR1
SCHEMBL9915790 0.78 L3MBTL1 (0.42) NPC1RAB9ACNR2CNR1KMT2A

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