SCHEMBL3189657

SCHEMBL3189657

O=C(CNC1CC2CCC1C2)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
EPHX2 P34913 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNJ6 P48051 1/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
HSD17B10 Q99714 2/20 0.47
SLC6A3 Q01959 1/20 0.47
DPP4 P27487 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43

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
SCHEMBL3705934 0.80 HTT (0.63) HPGDSMN1; SMN2EPHX2KCNJ6KCNJ5
Hydrochloric Acid SCHEMBL11301487 0.79 HTT (0.61) HPGDSMN1; SMN2EPHX2KCNJ6KCNJ5
SCHEMBL5988119 0.77 DPP4 (0.55) HPGDSMN1; SMN2EPHX2DPP4ALDH1A1
SCHEMBL19524580 0.77 KMT2A (0.52) HPGDSMN1; SMN2EPHX2MAPTKDM4E
SCHEMBL12090576 0.76 MEN1 (0.48) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL5987777 0.76 DPP4 (0.54) HPGDSMN1; SMN2EPHX2DPP4ALDH1A1
SCHEMBL3204810 0.75 HPGD (0.54) HPGDSMN1; SMN2EPHX2L3MBTL1KCNJ6
SCHEMBL12875158 0.75 ALDH1A1 (0.55) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL3867134 0.74 MEN1 (0.59) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL13863075 0.74 HPGD (0.48) HPGDSMN1; SMN2L3MBTL1SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 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-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 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
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP 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-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed