SCHEMBL10169860

SCHEMBL10169860

CCOC(=O)c1cc[n+](OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAOA P21397 1/20 0.55
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 4/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
Iodide SCHEMBL5145376 0.84 TSHR (0.47) CA1CA2CA12CA7CA9
SCHEMBL12039174 0.82 KMT2A (0.63) LMNACYP3A4ALDH1A1KMT2AHPGD
SCHEMBL15440784 0.82 SMN1; SMN2 (0.58) CA1CA2CA12CA7CA9
SCHEMBL15440848 0.82 ALDH1A1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL12039173 0.82 ALDH1A1 (0.60) ESR1LMNACYP1A2CYP3A4ALDH1A1
SCHEMBL12039194 0.81 ALDH1A1 (0.50) CA1CA2ALDH1A1TSHRNOS1
SCHEMBL20160698 0.81 CA1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL10256558 0.81 CA1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL12039249 0.81 CA12 (0.42) CA1CA2CA12CA7CA9
SCHEMBL87450 0.80 CA1 (0.83) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246693-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246693-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20080233516-A1 NEGATIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-09-25 US disclosed
US-20080233516-A1 NEGATIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-09-25 US disclosed