SCHEMBL3671202

SCHEMBL3671202

COc1ccc(-c2c(O)c(=O)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
ME2 P23368 1/20 0.53
ME1 P48163 1/20 0.53
ME3 Q16798 1/20 0.53
ESR2 Q92731 1/20 0.52
MAOB P27338 2/20 0.50
PTGS2 P35354 1/20 0.49
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
BACE1 P56817 1/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL10844436 0.81 PTGS2 (0.57) HDAC4HDAC2HDAC8ME2ME1
SCHEMBL12432628 0.77 ALOX12 (0.42) MAOBTP53MEN1KMT2AALDH1A1
SCHEMBL10671387 0.76 PTGS2 (0.49) HDAC4HDAC2HDAC8ME2ME1
SCHEMBL9505893 0.76 ERN1 (0.55) TP53NPC1MAPK1RAB9AMEN1
SCHEMBL1109009 0.76 CHEK1 (0.43) KDM4EMAPT
SCHEMBL20323072 0.75 CA1 (0.69) ESR2PTGS2TP53NPC1MAPK1
SCHEMBL10967156 0.73 LMNA (0.62) HDAC4HDAC2HDAC8MAOBPTGS2
SCHEMBL11122148 0.73 HDAC4 (0.62) HDAC4HDAC2HDAC8ME2ME1
SCHEMBL9589036 0.73 PTGS2 (0.42) MAOBPTGS2TP53MEN1KMT2A
SCHEMBL2831664 0.73 SHMT2 (0.44) HDAC4HDAC2HDAC8PTGS2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030537-A Photoconductive unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-07-09 US claimed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 WO disclosed
EP-0396828-B1 UNSYMMETRICAL SQUARAINE COMPOSITIONS AND PHOTOCONDUCTIVE IMAGING MEMBERS USING SUCH COMPOSITIONS XEROX CORPORATION (US) 1993-08-11 EP disclosed
US-5230975-A Photoconductive imaging members with unsymmetrical alkylalkoxy squaraine compositions XEROX CORPORATION (US) 1993-07-27 US disclosed
US-5106713-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1992-04-21 US disclosed
US-5077160-A PHOTOCONDUCTIVE IMAGING MEMBERS WITH FLUORINATED SQUARAINE COMPOSITIONS XEROX CORPORATION (US) 1991-12-31 US disclosed
US-5030537-A Photoconductive unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-07-09 US disclosed
EP-0396828-A1 Unsymmetrical squaraine compositions and photoconductive imaging members using such compositions XEROX CORPORATION (US) 1990-11-14 EP disclosed
US-4922018-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1990-05-01 US disclosed
US-4886722-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1989-12-12 US disclosed
US-4751327-A Photoconductive imaging members with unsymmetrical squaraine compounds XEROX CORPORATION (US) 1988-06-14 US disclosed
US-4624904-A Photoconductive imaging members with unsymmetrical squaraine compounds containing an hydroxyl group XEROX CORPORATION (US) 1986-11-25 US disclosed