SCHEMBL9003292

SCHEMBL9003292

CC(C)(C)c1ccc(C([S+]=O)(C(=O)c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCCCCC[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NAAA Q02083 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CES2 O00748 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
SCHEMBL9003543 0.81 CES1 (0.36) HDAC3HDAC1HDAC2NAAAGAA
SCHEMBL9003546 0.76 MAPT (0.50) HDAC1MAPTMEN1KMT2AALDH1A1
SCHEMBL20060637 0.73 HDAC3 (0.43) HDAC3HDAC1HDAC2MAPTMEN1
SCHEMBL8757299 0.72 CES1 (0.38) HDAC3HDAC1HDAC2NAAAGAA
SCHEMBL9003474 0.71 L3MBTL1 (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL18036988 0.71 PSMD14 (0.42) HDAC3HDAC1HDAC2ICMTALB
SCHEMBL309257 0.68 HDAC3 (0.40) HDAC3HDAC1HDAC2MAPTMEN1
SCHEMBL8756286 0.67 HTR7 (0.44) HDAC3HDAC1HDAC2ICMTALB
SCHEMBL9003762 0.67 KCNN4 (0.41) MEN1KMT2AHTTPRSS1CTSG
SCHEMBL9003536 0.66 CES1 (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed