SCHEMBL443937

SCHEMBL443937

O=C(O)/N=N/C(=O)O.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
KEAP1 Q14145 1/20 0.56
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 3/20 0.52
NPC1 O15118 1/20 0.52

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
Hydrogen Peroxide SCHEMBL10839772 0.81 TDP1 (0.71) FFAR1KEAP1HDAC1HDAC2HDAC8
Hydrogen Peroxide SCHEMBL10839871 0.81 TDP1 (0.71) FFAR1KEAP1HDAC1HDAC2HDAC8
SCHEMBL1793454 0.81 ALDH1A1 (0.65) FFAR1KEAP1ALDH1A1SMN1; SMN2TDP1
SCHEMBL8731548 0.80 FFAR1 (0.58) FFAR1KEAP1HDAC1HDAC2HDAC8
Carbamic Acid SCHEMBL2222080 0.79 FFAR1 (0.62) FFAR1KEAP1HDAC1HDAC2HDAC8
SCHEMBL9346300 0.79 FFAR1 (0.62) FFAR1KEAP1HDAC1HDAC2HDAC8
Urea SCHEMBL2006220 0.79 FFAR1 (0.62) FFAR1KEAP1HDAC1HDAC2HDAC8
Nitrous Acid SCHEMBL4556970 0.79 FFAR1 (0.56) FFAR1KEAP1HDAC1HDAC2HDAC8
Acetone SCHEMBL3486840 0.79 ALDH1A1 (0.70) FFAR1KEAP1HDAC1HDAC2HDAC8
Acetic Acid SCHEMBL7431776 0.79 ALDH1A1 (0.70) FFAR1KEAP1HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481234-B2 Image bearing member RICOH COMPANY, LTD. (JP) 2013-07-09 US disclosed
US-20120064444-A1 IMAGE BEARING MEMBER RICOH COMPANY, LTD. (JP) 2012-03-15 US disclosed