SCHEMBL28044631

SCHEMBL28044631

CCCC(NC(=O)CC)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
HDAC7 Q8WUI4 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL17344111 0.83 CYP2C9 (0.43) CYP2C9NPSR1KMT2AMEN1ALDH1A1
SCHEMBL38650713 0.80 HDAC7 (0.38) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL21951 0.76 TSHR (0.44) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL310237 0.76 TGFBR1 (0.44) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL6663169 0.74 HDAC7 (0.33) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL14344054 0.74 HDAC7 (0.33) HDAC7HDAC8HDAC6HDAC9HDAC5
Ammonia Solution, Strong SCHEMBL139207 0.74 TSHR (0.42) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL5154817 0.74 HDAC7 (0.43) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL7028930 0.74 HDAC7 (0.38) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL11514498 0.72 TP53 (0.38) HDAC7HDAC8HDAC6HDAC9HDAC5

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
CN-102782159-B Compositions and methods for sequencing nucleic acids INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (CN) 2016-01-20 CN disclosed