SCHEMBL5476802

SCHEMBL5476802

c1ccc2c(c1)cc1cc3cccc4c5cccc6cc7cc8ccccc8c8c7c(c65)c(c34)c1c28

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.63
ERBB2 P04626 1/20 0.63
FYN P06241 1/20 0.63
MAOA P21397 1/20 0.63
ACHE P22303 1/20 0.63
AHR P35869 1/20 0.63
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 6/20 0.52
HPGD P15428 4/20 0.52
THRB P10828 1/20 0.52
HIF1A Q16665 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CES1 P23141 1/20 0.44
CYP1B1 Q16678 1/20 0.41
NQO2 P16083 3/20 0.41
HTR2A P28223 1/20 0.40
NQO1 P15559 1/20 0.40

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
SCHEMBL4525187 0.93 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852517 0.91 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4854692 0.91 CYP1A2 (0.60) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855283 0.90 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852233 0.88 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4846493 0.88 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852473 0.87 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4853683 0.86 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855722 0.86 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4847368 0.86 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed