SCHEMBL13891756

SCHEMBL13891756

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PAX8 Q06710 2/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
NR1H4 Q96RI1 2/20 0.36
TP53 P04637 2/20 0.36
GPX4 P36969 1/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13891773 0.97 RAB9A (0.41) HSD17B1HSD17B2LTB4R2ALDH1A1RAB9A
Acrylic Acid SCHEMBL2282119 0.82 HSD17B1 (0.46) HSD17B1HSD17B2LTB4R2ALDH1A1RAB9A
SCHEMBL12934616 0.82 BCL2 (0.42) HSD17B1HSD17B2MEN1KMT2AFFAR1
SCHEMBL12571982 0.82 LMNA (0.38) LTB4R2ALDH1A1HTTLMNA
SCHEMBL22148976 0.81 LTB4R2 (0.39) HSD17B1HSD17B2LTB4R2ALDH1A1RAB9A
SCHEMBL14410123 0.80 ALDH1A1 (0.42) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL20733435 0.80 ALDH1A1 (0.42) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL13891757 0.80 RAB9A (0.41) HSD17B1HSD17B2LTB4R2ALDH1A1RAB9A
SCHEMBL13569469 0.80 ALOX5 (0.40) HSD17B1HSD17B2LTB4R2NR1H4HPGD
SCHEMBL20733436 0.80 THRB (0.36) ALDH1A1RAB9ANPC1MEN1KMT2A

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