SCHEMBL29879232

SCHEMBL29879232

COC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(C(F)(F)F)c2)cc1.O=C(NO)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.60
HDAC1 Q13547 7/20 0.60
HDAC8 Q9BY41 7/20 0.60
HDAC5 Q9UQL6 3/20 0.51
HDAC11 Q96DB2 2/20 0.47
GAA P10253 1/20 0.46
MLYCD O95822 3/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL16211302 0.95 HDAC1 (0.66) HDAC6HDAC1HDAC8HDAC5GAA
SCHEMBL16211548 0.94 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5HDAC11
SCHEMBL30493918 0.94 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5HDAC11
SCHEMBL22217910 0.87 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5HDAC11
SCHEMBL25979367 0.86 HDAC6 (0.64) HDAC6HDAC1HDAC8HDAC5HDAC11
SCHEMBL16211284 0.86 HDAC1 (0.54) HDAC6HDAC1HDAC8HDAC5HPGD
SCHEMBL16211664 0.86 MLYCD (0.57) HDAC6HDAC1HDAC8GAAMLYCD
SCHEMBL16211278 0.85 HDAC1 (0.57) HDAC6HDAC1HDAC8HDAC5GAA
SCHEMBL16211327 0.85 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5NR1H4
SCHEMBL16211461 0.85 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC5HDAC11

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
EP-4048280-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) Chong Kun Dang Pharmaceutical Corp. (KR) 2022-08-31 EP disclosed