SCHEMBL2533432

SCHEMBL2533432

C=CCc1cc(O)c(C=O)c(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
KDM4E B2RXH2 2/20 0.37
XDH P47989 2/20 0.35
SRD5A1 P18405 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
AKR1B1 P15121 2/20 0.33
ALDH2 P05091 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 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
SCHEMBL9637283 0.79 POLB (0.46) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL11074977 0.75 GABRA1 (0.43) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL28147775 0.75 POLB (0.45) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL10532667 0.72 KDM4E (0.43) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL7190258 0.72 KDM4E (0.49) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL10487312 0.72 GABRA1 (0.47) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL9861964 0.71 GABRA1 (0.43) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL9721939 0.71 GABRA1 (0.45) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL1744767 0.70 GABRA1 (0.58) POLBGABRA1GABRB2KDM4EXDH
SCHEMBL1420694 0.70 GABRA1 (0.64) POLBGABRA1GABRB2KDM4EXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984710-B2 Alkoxylated alkylphenol-formaldehyde-diamine polymer NALCO ENERGY SERVICES, L.P. (US) 2006-01-10 US claimed
WO-2005037883-A1 ALKOXYLATED ALKYLPHENOL-FORMALDEHYDE-DIAMINE POLYMER NALCO ENERGY SERVICES, L.P. (US) 2005-04-28 WO claimed
US-20050080221-A1 Alkoxylated alkylphenol-formaldehyde-diamine polymer ECOLAB USA INC. 2005-04-14 US claimed
US-8039518-B2 for water in crude oil emulsions; improved biodegradability profile and low ecotoxicity; polyorthoesters; use with oil from fermentation or oil production; for example polymer obtained by reacting triethylorthoformate with polypropylene glycol, and then with ethylene oxide AKZO NOBEL, N.V. (NL) 2011-10-18 US disclosed
US-20090209666-A1 ENVIRONMENTALLY-FRIENDLY OIL/WATER DEMULSIFIERS AKZO NOBEL N.V. (NL) 2009-08-20 US disclosed
WO-2007115980-A1 ENVIRONMENTALLY-FRIENDLY OIL/WATER DEMULSIFIERS AKZO NOBEL N.V. (NL) 2007-10-18 WO disclosed
US-6984710-B2 Alkoxylated alkylphenol-formaldehyde-diamine polymer NALCO ENERGY SERVICES, L.P. (US) 2006-01-10 US disclosed
US-6984710-B2 Alkoxylated alkylphenol-formaldehyde-diamine polymer NALCO ENERGY SERVICES, L.P. (US) 2006-01-10 US disclosed
US-6984710-B2 Alkoxylated alkylphenol-formaldehyde-diamine polymer NALCO ENERGY SERVICES, L.P. (US) 2006-01-10 US disclosed
WO-2005037883-A1 ALKOXYLATED ALKYLPHENOL-FORMALDEHYDE-DIAMINE POLYMER NALCO ENERGY SERVICES, L.P. (US) 2005-04-28 WO disclosed
WO-2005037883-A1 ALKOXYLATED ALKYLPHENOL-FORMALDEHYDE-DIAMINE POLYMER NALCO ENERGY SERVICES, L.P. (US) 2005-04-28 WO disclosed
US-20050080221-A1 Alkoxylated alkylphenol-formaldehyde-diamine polymer ECOLAB USA INC. 2005-04-14 US disclosed
US-20050080221-A1 Alkoxylated alkylphenol-formaldehyde-diamine polymer ECOLAB USA INC. 2005-04-14 US disclosed
US-20050080221-A1 Alkoxylated alkylphenol-formaldehyde-diamine polymer ECOLAB USA INC. 2005-04-14 US disclosed