SCHEMBL29003545

SCHEMBL29003545

CC(C)C(OS(=O)(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
ADRB2 P07550 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
AOC3 Q16853 1/20 0.35
MMP2 P08253 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL776226 0.81 KMT2A (0.47) ALDH1A1POLB
SCHEMBL11131501 0.71 ADRB2 (0.48) FFAR2GABBR2GABBR1ADRB2BRD4
SCHEMBL3135926 0.71 ADRB2 (0.46) FFAR2GABBR2GABBR1ADRB2BRD4
SCHEMBL8551002 0.68 ADRB2 (0.43) FFAR2GABBR2GABBR1ADRB2BRD4
SCHEMBL7032700 0.68 LMNA (0.46) ALDH1A1POLB
SCHEMBL27961889 0.67 HTT (0.51) ALDH1A1POLBCA2L3MBTL1
SCHEMBL18317133 0.67 GABBR2 (0.59) FFAR2GABBR2GABBR1ADRB2BRD4
SCHEMBL20874449 0.67 CA1 (0.47) FFAR2GABBR2GABBR1ADRB2BRD4
SCHEMBL20874448 0.67 CNR2 (0.53) FFAR2CNR2
SCHEMBL22655902 0.67 ALDH1A1 (0.60) ALDH1A1POLBCA12CA7CA9

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-115974730-A Method for synthesizing organic sulfate by persulfate 湖南大学 2023-04-18 CN disclosed