SCHEMBL5010138

SCHEMBL5010138

CC(C)(C)c1cc2cccc3c4cc(Br)cc5cccc(c(c1)c23)c54

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
CYP1B1 Q16678 1/20 0.34
CYP1A2 P05177 2/20 0.33
ACHE P22303 2/20 0.33
KIF11 P52732 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
AHR P35869 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL133411 0.89 CYP1A2 (0.39) CYP1A2ACHEKIF11ERBB2FYN
SCHEMBL925882 0.88 CYP1A2 (0.42) CYP1B1CYP1A2ACHEKIF11ERBB2
SCHEMBL22534075 0.84 ALDH1A1 (0.41) CYP1B1CYP1A2ACHEKIF11ERBB2
SCHEMBL29818226 0.84 ALDH1A1 (0.41) CYP1B1CYP1A2ACHEKIF11ERBB2
SCHEMBL515458 0.84 ALDH1A1 (0.41) CYP1B1CYP1A2ACHEKIF11ERBB2
SCHEMBL5010127 0.84 NPSR1 (0.44) NPSR1CYP1B1CYP1A2ACHEERBB2
SCHEMBL27671350 0.82 CYP1A2 (0.47) NPSR1CYP1B1CYP1A2ACHEERBB2
SCHEMBL15169264 0.78 GABRA1 (0.36) NPSR1CYP1B1CYP1A2MAPTKMT2A
SCHEMBL14267402 0.78 KIF11 (0.32) CYP1A2ACHEKIF11ERBB2FYN
SCHEMBL5008856 0.76 KIF11 (0.31) CYP1A2ACHEKIF11ERBB2FYN

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed