SCHEMBL10029414

SCHEMBL10029414

CCCNC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 3/20 0.57
KMT2A Q03164 1/20 0.57
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.55
ERN1 O75460 1/20 0.55
TOP1 P11387 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HPGD P15428 1/20 0.50
TERT O14746 1/20 0.50
XDH P47989 1/20 0.50

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
SCHEMBL9725101 0.90 SMN1; SMN2 (0.68) L3MBTL1HDAC6SMN1; SMN2CA2XDH
SCHEMBL9725132 0.87 L3MBTL1 (0.65) L3MBTL1KMT2AALDH1A1SMN1; SMN2CA2
SCHEMBL3626979 0.87 L3MBTL1 (0.65) L3MBTL1KMT2AALDH1A1SMN1; SMN2CA2
SCHEMBL9142025 0.87 L3MBTL1 (0.65) L3MBTL1KMT2AALDH1A1SMN1; SMN2CA2
SCHEMBL27907061 0.87 L3MBTL1 (0.65) L3MBTL1KMT2AALDH1A1SMN1; SMN2CA2
SCHEMBL24440484 0.85 HDAC6 (0.60) L3MBTL1KDM4EHDAC6ALDH1A1GAA
SCHEMBL18083916 0.85 HDAC6 (0.60) L3MBTL1KDM4EHDAC6ALDH1A1GAA
SCHEMBL29633482 0.85 HDAC6 (0.60) L3MBTL1KDM4EHDAC6ALDH1A1GAA
SCHEMBL5260810 0.85 ESRRG (0.61) L3MBTL1KDM4EKMT2AALDH1A1GAA
SCHEMBL15985474 0.84 HDAC6 (0.55) L3MBTL1KDM4EHDAC6ALDH1A1GAA

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-2341053-B1 CEPHALOSPORIN HAVING CATECHOL GROUP SHIONOGI & CO (JP) 2016-01-13 EP disclosed
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 US disclosed
US-20120104330-A1 METAL INK COMPOSITION, METHOD OF FORMING A CONDUCTIVE METAL FILM USING THE SAME, AND CONDUCTIVE METAL FILM USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-05-03 US disclosed
US-20120104330-A1 METAL INK COMPOSITION, METHOD OF FORMING A CONDUCTIVE METAL FILM USING THE SAME, AND CONDUCTIVE METAL FILM USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-05-03 US disclosed