SCHEMBL3077834

SCHEMBL3077834

Oc1ccccc1-c1ccc(-c2ccccc2O)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
BCL2L1 Q07817 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
HSD17B1 P14061 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
CYP2C19 P33261 6/20 0.46
CYP2C9 P11712 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
CYP3A4 P08684 6/20 0.45

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
SCHEMBL3038244 0.80 KDM4E (0.63) HPGDALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL19657013 0.78 HSD17B1 (0.47) ALDH1A1HSD17B1MEN1KMT2A
SCHEMBL28574 0.76 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1MEN1
SCHEMBL30442890 0.76 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1MEN1
SCHEMBL29623192 0.76 ALDH1A1 (0.67) HPGDALDH1A1HSD17B10BCL2L1MEN1
SCHEMBL986607 0.74 ALDH1A1 (0.63) HPGDALDH1A1HSD17B10BCL2L1MEN1
Potassium SCHEMBL30932291 0.74 ALDH1A1 (0.63) HPGDALDH1A1HSD17B10BCL2L1MEN1
Hydrogen Sulfide SCHEMBL20536042 0.74 ALDH1A1 (0.63) HPGDALDH1A1HSD17B10BCL2L1MEN1
Catechol SCHEMBL21408977 0.74 ALDH1A1 (0.71) HPGDALDH1A1HSD17B10BCL2L1MEN1
Hydrochloric Acid SCHEMBL31519864 0.74 ALDH1A1 (0.63) HPGDALDH1A1HSD17B10BCL2L1MEN1

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