SCHEMBL7086008

SCHEMBL7086008

CNc1ccc(NC(CO)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
HCAR3 P49019 5/20 0.47
CDC25B P30305 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH3A1 P30838 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL3908874 0.86 ALDH1A1 (0.52) HCAR3MAPTALDH1A1TDP1POLB
SCHEMBL2520028 0.83 HTT (0.58) HTTHCAR3CDC25BMAPTALDH1A1
SCHEMBL4928241 0.82 ADRB2 (0.46) HTTMAPTALDH1A1TDP1POLB
SCHEMBL2520619 0.80 HTT (0.54) HTTHCAR3CDC25BMAPTALDH1A1
SCHEMBL8799847 0.79 ALDH1A1 (0.50) HCAR3MAPTALDH1A1TDP1POLB
SCHEMBL8641030 0.79 HCAR3 (0.49) HCAR3MAPTALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL8641202 0.78 HCAR3 (0.48) HCAR3MAPTALDH1A1MAPK1TDP1
SCHEMBL2849044 0.78 ALDH1A1 (0.51) HCAR3MAPTALDH1A1TDP1POLB
SCHEMBL9776301 0.77 HTT (0.61) HTTHCAR3CDC25BMAPTALDH1A1
Hydrochloric Acid SCHEMBL6142109 0.77 ALDH1A1 (0.50) HCAR3MAPTALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324681-A2 ARTICLE FOR THE DELIVERY OF FOAM PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2003-07-09 EP disclosed
US-6547063-B1 Article for the delivery of foam products THE PROCTER & GAMBLE COMPANY 2003-04-15 US disclosed
WO-2002030237-A2 ARTICLE FOR THE DELIVERY OF FOAM PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2002-04-18 WO disclosed
US-6283336-B1 Article for the delivery of foam products THE PROCTER & GAMBLE COMPANY 2001-09-04 US disclosed