SCHEMBL15820162

SCHEMBL15820162

Cc1ccc(N(C)C)c([PH](=O)O)c1.[Na]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
TRPA1 O75762 1/20 0.30
C5AR1 P21730 1/20 0.30

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
SCHEMBL15820157 0.98 GAA (0.34) GAAMAPTMAPK1ALDH1A1TSHR
SCHEMBL9355484 0.74 TDP1 (0.39) GAAALDH1A1TSHRTRPA1
SCHEMBL562789 0.70 TDP1 (0.44) GAAMAPTALDH1A1TRPA1
SCHEMBL5641724 0.68 ALDH1A1 (0.43) GAAMAPTMAPK1ALDH1A1TSHR
SCHEMBL15820155 0.68 ESR1 (0.38) GAAMAPTMAPK1ALDH1A1TSHR
SCHEMBL12401692 0.67 TRPA1 (0.54) GAAMAPTALDH1A1TSHRTRPA1
SCHEMBL15820158 0.67 ESR1 (0.37) GAAMAPTMAPK1ALDH1A1
SCHEMBL1367532 0.66 TDP1 (0.44) GAAALDH1A1TSHRTRPA1
SCHEMBL19732137 0.66 ALDH1A1 (0.37) GAAMAPTMAPK1ALDH1A1TSHR
SCHEMBL27634287 0.65 AMY1A (0.36) MAPTMAPK1TRPA1

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
US-20150329728-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2015-11-19 US claimed
EP-2935477-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS Chemical Company (US) 2015-10-28 EP claimed
WO-2014099213-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2014-06-26 WO claimed
US-20150329728-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2015-11-19 US disclosed
EP-2935477-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS Chemical Company (US) 2015-10-28 EP disclosed
WO-2014099213-A1 AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS ANGUS CHEMICAL COMPANY (US) 2014-06-26 WO disclosed