SCHEMBL30179341

SCHEMBL30179341

CCC(=NO)C(=O)c1cc(-c2ccccc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
MMP12 P39900 6/20 0.42
ALAD P13716 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MMP13 P45452 2/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
DGAT1 O75907 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CTBP2 P56545 2/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
Phthalic Acid SCHEMBL28453995 0.94 HDAC6 (0.44) HDAC6MMP12ALADHTTMAPT
Benzoic Acid SCHEMBL28702141 0.80 CES2 (0.43) HDAC6HTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL27688659 0.79 HDAC6 (0.57) HDAC6MMP12ALADMAPTSMN1; SMN2
Acetic Acid SCHEMBL28413593 0.78 HDAC6 (0.40) HDAC6MMP12ALADUSP30
Benzoic Acid SCHEMBL28409597 0.75 PTGES (0.39) HDAC6MMP12ALADUSP30
SCHEMBL14944580 0.73 HDAC6 (0.58) HDAC6MMP12ALADMMP13USP30
SCHEMBL1286671 0.73 HDAC6 (0.62) HDAC6MMP12ALADMAPTSMN1; SMN2
SCHEMBL242998 0.73 SMN1; SMN2 (0.56) HDAC6MMP12ALADMAPTSMN1; SMN2
SCHEMBL505511 0.72 ALAD (0.70) HDAC6MMP12ALADMMP13USP30
SCHEMBL27623993 0.72 HDAC6 (0.66) HDAC6MMP12ALADHSD17B1HSD17B2

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-111324011-B Reactive alkali-soluble resin, resin composition containing same and application 北京鼎材科技有限公司 2023-01-10 CN disclosed