SCHEMBL9954932

SCHEMBL9954932

CCCCCC(C)(c1ccc([N+](=O)[O-])cc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 6/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PTPRC P08575 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MGLL Q99685 2/20 0.40
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
AKR1C3 P42330 1/20 0.39
GGPS1 O95749 2/20 0.39
FDPS P14324 1/20 0.39

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
SCHEMBL8743943 0.79 CNR2 (0.49) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL2637314 0.77 PTPRC (0.51) ALDH1A1MAPTSMN1; SMN2LMNAPTPRC
SCHEMBL689307 0.77 HDAC3 (0.58) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL846486 0.75 ALDH1A1 (0.49) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL3230183 0.74 PTPRC (0.51) ALDH1A1MAPTSMN1; SMN2LMNAPTPRC
SCHEMBL4583232 0.73 MAPT (0.52) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL7912761 0.73 ALDH1A1 (0.50) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL7919852 0.73 ALDH1A1 (0.50) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL78562 0.73 ALDH1A1 (0.51) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL2033900 0.71 ALDH1A1 (0.47) ALDH1A1HDAC3HDAC1HDAC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074494-B1 LIPASE STABILIZATION IN DISHWASHING DETERGENTS HENKEL AG & CO KGAA (DE) 2018-04-04 EP disclosed
EP-2655587-B1 LIQUID SURFACTANT PREPARATION CONTAINING LIPASE AND PHOSPHONATE HENKEL AG & CO KGAA (DE) 2017-05-10 EP disclosed
EP-3074494-A1 LIPASE STABILIZATION IN DISHWASHING DETERGENTS Henkel AG & Co. KGaA (DE) 2016-10-05 EP disclosed
WO-2015078742-A1 LIPASE STABILIZATION IN DISHWASHING DETERGENTS HENKEL AG & CO. KGAA (DE) 2015-06-04 WO disclosed
EP-2655587-A1 LIQUID SURFACTANT PREPARATION CONTAINING LIPASE AND PHOSPHONATE Henkel AG & Co. KGaA (DE) 2013-10-30 EP disclosed
WO-2012084582-A1 LIQUID SURFACTANT PREPARATION CONTAINING LIPASE AND PHOSPHONATE HENKEL AG & CO. KGAA (DE) 2012-06-28 WO disclosed