SCHEMBL13891774

SCHEMBL13891774

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
PPARA Q07869 1/20 0.34
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL13891772 0.97 ADORA3 (0.35) ADORA3NPC1RAB9AKMT2AMEN1
SCHEMBL13891765 0.83 ADORA3 (0.37) ADORA3NPC1RAB9AKMT2AMEN1
SCHEMBL13891747 0.81 ITGB1 (0.35) ADORA3NPC1RAB9AKMT2AMEN1
SCHEMBL12755179 0.80 ADORA3 (0.43) ADORA3KMT2AESR1ESR2ALDH1A1
SCHEMBL11987109 0.80 ADORA3 (0.43) ADORA3KMT2AESR1ESR2ALDH1A1
SCHEMBL9915742 0.80 ADORA3 (0.43) ADORA3KMT2AESR1ESR2ALDH1A1
SCHEMBL15726705 0.79 APOBEC3A (0.42) ADORA3ALDH1A1PPARACYP3A4
SCHEMBL13765741 0.79 HSD11B1 (0.41) ADORA3KMT2AMEN1ESR1ESR2
SCHEMBL5452904 0.79 ESR1 (0.48) ADORA3KMT2AESR1ESR2ALDH1A1
SCHEMBL21168792 0.79 ESR1 (0.48) ADORA3KMT2AESR1ESR2ALDH1A1

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