SCHEMBL8535722

SCHEMBL8535722

CC(C)(c1ccccc1)c1cc(O)c(C(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C2CC2)c(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.37
NR1I2 O75469 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
FABP4 P15090 1/20 0.36
PDE4A P27815 1/20 0.36
NR1H3 Q13133 1/20 0.35
GPR27 Q9NS67 1/20 0.35
CYTH2 Q99418 1/20 0.35
PGR P06401 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL7371141 0.91 TGFBR1 (0.38) TGFBR1GAAGFERAPOBEC3GFABP4
SCHEMBL8534712 0.89 TGFBR1 (0.35) TGFBR1NR1I2GAAGFERAPOBEC3G
SCHEMBL8539904 0.87 GHSR (0.37) TGFBR1NR1I2GAAGFERAPOBEC3G
SCHEMBL7371922 0.86 VKORC1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL8539266 0.85 HDAC8 (0.37) TGFBR1NR1I2GAAGFERAPOBEC3G
SCHEMBL8534806 0.82 HDAC8 (0.36) TGFBR1GAAFABP4PDE4AMEN1
SCHEMBL7378472 0.80 TGFBR1 (0.36) TGFBR1GAAGFERAPOBEC3GFABP4
SCHEMBL7367288 0.79 PTGES (0.38) TGFBR1GAAGFERAPOBEC3GFABP4
SCHEMBL7367450 0.77 HTR6 (0.38) TGFBR1NR1I2GAAFABP4PGR
SCHEMBL8539163 0.76 MEN1 (0.38) GAAGFERAPOBEC3GPDE4AGPR27

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed