SCHEMBL2640913

SCHEMBL2640913

Nc1nnc(CCC(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
F2 P00734 1/20 0.55
GLS O94925 4/20 0.52
ATM Q13315 1/20 0.50
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL27625668 0.89 POLB (0.62) POLBALDH1A1F2GLSATM
SCHEMBL1686855 0.79 F2 (0.70) POLBALDH1A1F2GLSATM
SCHEMBL12263495 0.76 L3MBTL1 (0.46) POLBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11233890 0.74
SCHEMBL8350083 0.72 HTT (0.66) POLBALDH1A1F2GLSHTT
SCHEMBL2208668 0.72
SCHEMBL14986945 0.72 ALDH1A1 (1.00) POLBALDH1A1F2GLSATM
SCHEMBL1892758 0.71 ALDH1A1 (0.55) ALDH1A1GLS
SCHEMBL2395874 0.70
SCHEMBL7161882 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569375-B1 MODIFIED PIGMENTS CABOT CORP (US) 2017-11-22 EP disclosed
EP-2569375-B1 MODIFIED PIGMENTS CABOT CORP (US) 2017-11-22 EP disclosed
US-8771411-B2 Modified pigments CABOT CORPORATION (US) 2014-07-08 US disclosed
US-8771411-B2 Modified pigments CABOT CORPORATION (US) 2014-07-08 US disclosed
EP-2569375-A2 MODIFIED PIGMENTS Cabot Corporation (US) 2013-03-20 EP disclosed
US-20130061773-A1 MODIFIED PIGMENTS CABOT CORPORATION (US) 2013-03-14 US disclosed
US-20130061773-A1 MODIFIED PIGMENTS CABOT CORPORATION (US) 2013-03-14 US disclosed
WO-2011143533-A2 MODIFIED PIGMENTS CABOT CORPORATION (US) 2011-11-17 WO disclosed
WO-2011143533-A2 MODIFIED PIGMENTS CABOT CORPORATION (US) 2011-11-17 WO disclosed
US-4616081-A ANTIBIOTIC, BACTERICIDE WITH GOOD ABSORTION AND STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-10-07 US disclosed
EP-0098609-A2 Novel cephalosporin compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-01-18 EP disclosed