SCHEMBL28217372

SCHEMBL28217372

CC(C)c1cccc(C(C)C)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
CA2 P00918 2/20 0.50
HDAC2 Q92769 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MDM4 O15151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
TYR P14679 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CA5A P35218 1/20 0.50
HTT P42858 1/20 0.50
MDM2 Q00987 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL27387727 0.87 PGR (0.53) HDAC4HDAC8CA2HDAC2KDM4E
SCHEMBL27815591 0.86 HDAC4 (0.43) HDAC4HDAC8CA2HDAC2KDM4E
SCHEMBL27794458 0.86 ALDH1A1 (0.43) HDAC4HDAC8CA2HDAC2KDM4E
SCHEMBL841948 0.85 FABP4 (0.48) HDAC4HDAC8CA2HDAC2KDM4E
SCHEMBL374780 0.84 HDAC4 (0.56) HDAC4HDAC8CA2HDAC2KDM4E
Water SCHEMBL28198852 0.84 CA2 (0.48) HDAC4HDAC8CA2HDAC2KDM4E
Isopropylbenzene SCHEMBL1416132 0.83 ALDH1A1 (0.44) KDM4EALDH1A1MAPTTYRHPGD
SCHEMBL958495 0.83 ALDH1A1 (0.46) HDAC4HDAC8CA2HDAC2KDM4E
Benzene SCHEMBL7084450 0.82 HDAC4 (0.54) HDAC4HDAC8CA2HDAC2KDM4E
SCHEMBL11036540 0.82 HDAC4 (0.54) HDAC4HDAC8CA2HDAC2KDM4E

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-108084062-A A kind of preparation method of 2,4- disubstituted benzenes sulfonic acid chloride 天津瑞岭化工有限公司 2018-05-29 CN disclosed