SCHEMBL245578

SCHEMBL245578

COc1cc(C=Cc2ccc(C=Cc3cc(OC)c(OCC(C)C)c(OC)c3)cc2)cc(OC)c1OCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 16/20 0.56
TUBB4A P04350 10/20 0.56
TUBB P07437 10/20 0.56
TUBA3C P0DPH7 10/20 0.56
TUBA1B P68363 10/20 0.56
TUBA4A P68366 10/20 0.56
TUBB4B P68371 10/20 0.56
TUBB3 Q13509 10/20 0.56
TUBB2A Q13885 10/20 0.56
TUBB8 Q3ZCM7 10/20 0.56
TUBA3E Q6PEY2 10/20 0.56
TUBA1A Q71U36 10/20 0.56
TUBA1C Q9BQE3 10/20 0.56
TUBB6 Q9BUF5 10/20 0.56
TUBB2B Q9BVA1 10/20 0.56
CYP19A1 P11511 1/20 0.54
NQO2 P16083 1/20 0.54
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL2841236 1.00 TUBB1 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27749479 0.92 TUBB1 (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14160812 0.84 TUBB4A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13901507 0.81 AGTR1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7460422 0.81 ALDH1A1 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13397514 0.78 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10005383 0.78 TUBB1 (0.77) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6896671 0.78 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4659251 0.78 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL631213 0.78 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-8632954-B2 Method for making a lithographic printer plate precursor AGFA GRAPHICS NV (BE) 2014-01-21 US disclosed
US-8088559-B2 Method of making a photopolymer printing plate AGFA GRAPHICS NV (BE) 2012-01-03 US disclosed
EP-2149072-B1 A GUM SOLUTION FOR DEVELOPING AND GUMMING A PHOTOPOLYMER PRINTING PLATE AGFA GRAPHICS NV (BE) 2010-11-03 EP disclosed
US-20100129756-A1 GUM SOLUTION FOR DEVELOPING AND GUMMING A PHOTOPOLYMER PRINTING PLATE AGFA GRAPHICS N.V. (BE) 2010-05-27 US disclosed
US-20100129755-A1 METHOD FOR MAKING A LITHOGRAPHIC PRINTER PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-27 US disclosed
US-20100040978-A1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2010-02-18 US disclosed
US-20090197202-A1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-08-06 US disclosed
US-20080311525-A1 Method of Making a Photopolymer Printing Plate AGFA GRAPHICS NV (BE) 2008-12-18 US disclosed