SCHEMBL3077039

SCHEMBL3077039

Oc1ccccc1C1C=CCC(c2ccccc2O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
ADORA3 P0DMS8 1/20 0.39
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP3A4 P08684 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HSPA1A P0DMV8 2/20 0.35
PTPN7 P35236 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
GAPDH P04406 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 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
SCHEMBL3069295 0.77 HTR2A (0.41) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL10868484 0.73 HTR2A (0.40) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL28015761 0.71 MEN1 (0.41) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL29967921 0.69 AR (0.47) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL237581 0.69 AR (0.47) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL3080406 0.68 AR (0.44) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL7263200 0.66 HTR2A (0.47) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL30317690 0.66 AR (0.45) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL31169126 0.66 ALDH1A1 (0.47) ARADORA3HSD11B1AKR1C3HTR2A
SCHEMBL9614433 0.65 MEN1 (0.42) ARADORA3HSD11B1AKR1C3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed