SCHEMBL515458

SCHEMBL515458

CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 3/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
AHR P35869 1/20 0.38
KIF11 P52732 2/20 0.38
TSHR P16473 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL29818226 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL22534075 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL925882 0.96 CYP1A2 (0.42) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL133411 0.94 CYP1A2 (0.39) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL2448831 0.86 CYP1A2 (0.44) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL40334 0.85 GABRA1 (0.42) ALDH1A1HPGDHSD17B10ACHEKIF11
SCHEMBL5010138 0.84 NPSR1 (0.35) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL28522288 0.84 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL14267402 0.81 KIF11 (0.32) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL16244634 0.81 KIF11 (0.32) CYP1A2KIF11TSHRNR1I2CYP3A4

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-20120025182-A1 DONOR SUBSTRATE, PROCESS FOR PRODUCTION OF TRANSFER FILM, AND PROCESS FOR PRODUCTION OF ORGANIC ELECTROLUMINESCENT ELEMENT SHARP KABUSHIKI KAISHA (JP) 2012-02-02 US disclosed