SCHEMBL3072223

SCHEMBL3072223

c1ccc2c(c1)CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOc1ccccc1-c1ccccc1Oc1ccccc1-c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
HTT P42858 1/20 0.40
NOTUM Q6P988 2/20 0.39
BRD4 O60885 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3069787 1.00 MAOA (0.44) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL10980562 1.00 MAOA (0.44) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL3063834 1.00 MAOA (0.44) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL3082540 0.88 SMN1; SMN2 (0.50) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL3072591 0.88 SMN1; SMN2 (0.50) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL3077321 0.88 SMN1; SMN2 (0.50) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL11797521 0.87 SMN1; SMN2 (0.42) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL10987360 0.83 SMN1; SMN2 (0.56) MAOAMAOBLMNASMN1; SMN2CRHBP
SCHEMBL3224040 0.81 SMN1; SMN2 (0.54) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL3253257 0.81 SMN1; SMN2 (0.54) LMNASMN1; SMN2CRHBPCRHR2HTT

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