SCHEMBL13891757

SCHEMBL13891757

C=C(C)C(=O)Cc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
JAK2 O60674 1/20 0.41
PAX8 Q06710 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
ABCC4 O15439 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL13891762 0.90 MEN1 (0.47) HTTLTB4R2KMT2AMEN1LMNA
SCHEMBL13891773 0.83 RAB9A (0.41) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL4570417 0.81 RAB9A (0.40) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL13891756 0.80 HSD17B1 (0.41) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL15788736 0.79 RAB9A (0.42) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL14962289 0.79 POLB (0.42) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL13884014 0.79 RAB9A (0.40) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL148955 0.78 HSD17B1 (0.45) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL8581884 0.78 HSD17B1 (0.45) RAB9AALDH1A1HTTNPC1JAK2
SCHEMBL13484089 0.78 HSD17B1 (0.45) RAB9AALDH1A1HTTNPC1JAK2

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