SCHEMBL3072409

SCHEMBL3072409

c1cc2c(c(-c3cccc4c3OCCO4)c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
LMNA P02545 3/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ADRB1 P08588 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 3/20 0.43
CHEK2 O96017 1/20 0.41
HTR1A P08908 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL21128796 0.86 MEN1 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL8714623 0.85 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL13861728 0.83 ITGB2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL6962873 0.80 ROCK2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL21207009 0.80 CHEK2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL30222517 0.80 CHEK2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL1772593 0.80 CHEK2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL7594061 0.80 ABCG2 (0.55) CHEK2MAPK1
SCHEMBL22969620 0.79 CHEK2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29495802 0.79 CHEK2 (0.43) ITGB2ICAM1ITGALLMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368510-A1 METHOD FOR SYNTHESIZING 2-ALKYL-4-TRIFLUOROMETHYL-3-ALKYLSULFONYLBENZOIC ACIDS Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 EP disclosed
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