SCHEMBL130857

SCHEMBL130857

CC1([N+](=O)[O-])Oc2ccc(CO)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
TTR P02766 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
XDH P47989 1/20 0.35
TLR3 O15455 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL2298411 0.80 TLR3 (0.34) ALOX15ALOX12MAPTALDH1A1TLR3
SCHEMBL25084169 0.78 ALOX15 (0.55) ALOX15ALOX12MAPTALDH1A1PTGS1
SCHEMBL31009079 0.78 ALOX15 (0.55) ALOX15ALOX12MAPTALDH1A1PTGS1
SCHEMBL1428264 0.76 CYP1A2 (0.36) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL351795 0.71 CTNNB1 (0.45) ALOX15ALOX12NPC1RAB9AHTT
SCHEMBL5752488 0.71 CETP (0.38) ALOX15ALOX12CNR2CYP4F2CYP4A11
Nitromethane SCHEMBL5522618 0.70 CYP3A4 (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9392813 0.69 P2RY6 (0.41) TTRMAPTALDH1A1PTGS2TSHR
SCHEMBL7233580 0.67 CYP4F2 (0.45) ALOX15MAPTALDH1A1MEN1KMT2A
SCHEMBL9142026 0.66 CNR1 (0.46) ALOX15ALOX12TTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187762-A1 Optical Sorting Method MEDICAL RESEARCH COUNCIL (GB) 2014-07-03 US disclosed
EP-1905828-B1 Optical sorting method MEDICAL RES COUNCIL (GB) 2012-08-08 EP disclosed
EP-1522581-B1 Optical sortingmethod MEDICAL RES COUNCIL (GB) 2012-03-07 EP disclosed
US-7897341-B2 Optical sorting method MEDICAL RESEARCH COUNCIL (GB) 2011-03-01 US disclosed
US-20090325236-A1 Optical sorting method GRIFFITHS ANDREW 2009-12-31 US disclosed
EP-1141272-B1 OPTICAL SORTING METHOD MEDICAL RES COUNCIL (GB) 2009-11-11 EP disclosed
US-20090053700-A1 Optical sorting method UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2009-02-26 US disclosed
EP-1905828-A2 Optical sorting method Medical Research Council (GB) 2008-04-02 EP disclosed
EP-1522582-B1 Optical sorting method MEDICAL RES COUNCIL (GB) 2007-07-04 EP disclosed
US-20050164239-A1 Compartmentalizing genetic elements into microcapsules, expressing elements to produce gene products within microcapsules, sorting elements using change in optical properties; in vitro evolution of nucleic acid through repeated mutagenesis MEDICAL RESEARCH COUNCIL (GB) 2005-07-28 US disclosed
EP-1522582-A2 Optical sorting method MEDICAL RESEARCH COUNCIL (GB) 2005-04-13 EP disclosed
EP-1522581-A2 Optical sortingmethod Medical Research Council (GB) 2005-04-13 EP disclosed
US-20050037392-A1 Compartmentalizing genetic elements into microcapsules, expressing elements to produce gene products within microcapsules, sorting elements using change in optical properties; in vitro evolution of nucleic acid through repeated mutagenesis MEDICAL RESEARCH COUNCIL (GB) 2005-02-17 US disclosed
US-6808882-B2 ISOLATING PREFERENTIAL NUCLEOTIDE SEQUENCES; OBTAIN NUCLEOTIDE SEQUENCE SAMPLES, ENCAPSULATE INTO MICROCAPSULES, MONITOR GENE EXPRESSION ACTIVITIES MEDICAL RESEARCH COUNCIL (GB) 2004-10-26 US disclosed
US-20020119459-A1 Optical sorting method UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2002-08-29 US disclosed
EP-1141272-A1 OPTICAL SORTING METHOD MEDICAL RESEARCH COUNCIL (GB) 2001-10-10 EP disclosed
WO-2000040712-A1 OPTICAL SORTING METHOD MEDICAL RESEARCH COUNCIL (GB) 2000-07-13 WO disclosed