SCHEMBL8722964

SCHEMBL8722964

O=Cc1cc2ccc3cccc4c5cccc6ccc1c(c65)c2c34

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
ERBB2 P04626 1/20 0.52
FYN P06241 1/20 0.52
MAOA P21397 1/20 0.52
ACHE P22303 1/20 0.52
AHR P35869 1/20 0.52
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
PTPN1 P18031 2/20 0.37
ERN1 O75460 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GUSB P08236 2/20 0.36

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
SCHEMBL10562778 0.91 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19490528 0.89 ERN1 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29699662 0.89 MEN1 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9428116 0.89 MEN1 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5747800 0.85 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5271517 0.82 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL978670 0.81 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5750151 0.81 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28486822 0.81 ALDH1A1 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL7051109 0.80 CYP1A2 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539967-B1 Sensors and methods for sensing MINNESOTA MINING & MFG (US) 1998-09-09 EP disclosed
US-5498549-A A FLUORESCENT POLYNUCLEAR COMPOUND COVALENTLY BONDED TO A POLYSILOXANE MATRIX, BLOOD GASES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-03-12 US disclosed
US-5409666-A Quantitative analysis MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-25 US disclosed
US-5296381-A Sensing elements and methods for making and using same MINNESOTA MINING & MANUFACTURING CO. (US) 1994-03-22 US disclosed
EP-0539967-A1 Sensors and methods for sensing MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-05 EP disclosed