SCHEMBL8534712

SCHEMBL8534712

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.35
FABP4 P15090 1/20 0.35
NR1I2 O75469 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HDAC1 Q13547 1/20 0.35
PDE4A P27815 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.34
NR1H3 Q13133 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR27 Q9NS67 1/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL7378472 0.92 TGFBR1 (0.36) TGFBR1FABP4GAAGFERAPOBEC3G
SCHEMBL8535722 0.89 TGFBR1 (0.37) TGFBR1FABP4NR1I2GAAGFER
SCHEMBL7377773 0.86 CYP2C9 (0.36) MEN1KMT2A
SCHEMBL8534806 0.85 HDAC8 (0.36) TGFBR1FABP4GAAHDAC1PDE4A
SCHEMBL8539904 0.85 GHSR (0.37) TGFBR1FABP4NR1I2GAAGFER
SCHEMBL8539266 0.83 HDAC8 (0.37) TGFBR1FABP4NR1I2GAAGFER
SCHEMBL7371141 0.80 TGFBR1 (0.38) TGFBR1FABP4GAAGFERAPOBEC3G
SCHEMBL7368440 0.79 PTGES (0.37) TGFBR1FABP4NR1I2CHRM2ALOX12
SCHEMBL7407674 0.78 HTR6 (0.37) TGFBR1FABP4NR1I2GAACHRM2
SCHEMBL7367288 0.77 PTGES (0.38) TGFBR1FABP4GAAGFERAPOBEC3G

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