SCHEMBL9954935

SCHEMBL9954935

CC(CCCCCc1ccc([N+](=O)[O-])cc1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ENPP2 Q13822 1/20 0.43
KCNJ1 P48048 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 4/20 0.42
S1PR2 O95136 3/20 0.42
S1PR4 O95977 3/20 0.42

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
SCHEMBL15303154 0.78 KCNH2 (0.46) KCNH2TSHRAKR1C3ALDH1A1KDM4E
SCHEMBL7318930 0.77 ALDH1A1 (0.47) KCNH2TSHRALDH1A1KDM4EUSP2
SCHEMBL27521151 0.77 ALDH1A1 (0.47) KCNH2TSHRALDH1A1KDM4EUSP2
SCHEMBL18913824 0.76 TSHR (0.69) KCNH2TSHRALDH1A1KCNJ1
SCHEMBL13875031 0.76 TSHR (0.55) KCNH2TSHRALDH1A1KDM4EUSP2
SCHEMBL2634073 0.75 AKR1C3 (0.49) KCNH2TSHRAKR1C3ALDH1A1KDM4E
SCHEMBL29059963 0.75 TSHR (0.47) KCNH2TSHRALDH1A1KDM4EUSP2
SCHEMBL7943007 0.74 TSHR (0.54) KCNH2TSHRALDH1A1LMNAKCNJ1
SCHEMBL3885276 0.74 FDFT1 (0.51) ENPP2CA12CA1MMP8S1PR1
Bromide SCHEMBL11237734 0.74 KCNH2 (0.56) KCNH2TSHRALDH1A1KDM4EUSP2

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