SCHEMBL3976374

SCHEMBL3976374

Cc1ccc(C(Cl)(P(=O)(O)O)P(=O)(O)O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.42
PGK2 P07205 5/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PTPN1 P18031 4/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.34
PTPN5 P54829 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
FKBP5 Q13451 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
Water SCHEMBL5935308 0.98 PGK1 (0.41) PGK1PGK2CYP1A2CYP2D6PTPN1
SCHEMBL14029153 0.79 TSHR (0.46) PGK1PGK2NPC1RAB9AKMT2A
SCHEMBL3977504 0.78 PGK1 (0.40) PGK1PGK2CYP1A2CYP2D6PTPN1
SCHEMBL4095380 0.72 TSHR (0.54) PGK1PGK2NPC1RAB9AKMT2A
SCHEMBL12017818 0.72 ALDH1A1 (0.39) KMT2ACYP19A1KIF11ALDH1A1
SCHEMBL11549127 0.71 TSHR (0.50) KMT2ACYP19A1KIF11ALDH1A1
SCHEMBL4099292 0.70 PTPN1 (0.58) PGK1PGK2CYP1A2PTPN1PTPN5
SCHEMBL9064458 0.69 ALDH1A1 (0.40) KMT2ACYP19A1KIF11ALDH1A1
Water SCHEMBL5162861 0.68 PTPN1 (0.56) PGK1PGK2CYP1A2PTPN1PTPN5
SCHEMBL10228100 0.67 APP (0.47) CYP1A2CYP2D6NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
EP-2057303-B1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
EP-2057303-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION Henkel AG & Co. KGaA (DE) 2009-05-13 EP disclosed
WO-2008022819-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2008-02-28 WO disclosed
EP-1658392-B1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KGAA (DE) 2007-03-14 EP disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
EP-1658392-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-24 EP disclosed
WO-2005021834-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-10 WO disclosed