SCHEMBL14646293

SCHEMBL14646293

CCCCCCCCOc1ccc(N(c2ccc(O)cc2)c2ccc(-c3cc4c(s3)-c3sc(C=O)cc3C4=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.44
ALDH2 P05091 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 10/20 0.40
LTA4H P09960 2/20 0.40
GPR84 Q9NQS5 1/20 0.37
RARB P10826 3/20 0.36
ESR2 Q92731 3/20 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
SCHEMBL14646292 0.81 PTGES (0.45) MAPTRARB
SCHEMBL9910011 0.78 RARB (0.35) NR5A1ESR1RARB
SCHEMBL9910000 0.78 RARB (0.35) NR5A1ESR1RARB
SCHEMBL12160895 0.78 RARB (0.35) NR5A1NPC1RAB9AESR1LTA4H
SCHEMBL9910768 0.75 APP (0.39) ALDH1A1GAAMAPTLTA4HRARB
SCHEMBL14646285 0.74 MAPT (0.51) ALDH1A1MAPTRARB
SCHEMBL9910005 0.73 PSEN1 (0.37) NR5A1LTA4HRARB
SCHEMBL31684364 0.73 RARB (0.35) ESR1RARB
SCHEMBL22770707 0.73 RARB (0.35) ESR1RARB
SCHEMBL16982667 0.72 PTPN11 (0.39) ALDH2RARB

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
WO-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 WO disclosed