SCHEMBL8539266

SCHEMBL8539266

CC(C)(CCc1ccccc1)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
HDAC8 Q9BY41 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
MAP1LC3A Q9H492 1/20 0.37
TGFBR1 P36897 2/20 0.36
HTR6 P50406 1/20 0.36
HDAC1 Q13547 4/20 0.36
PDE4A P27815 1/20 0.35
HDAC4 P56524 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PRMT1 Q99873 1/20 0.35
GHSR Q92847 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP4 P15090 1/20 0.34
NR1I2 O75469 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
SCHEMBL7367450 0.92 HTR6 (0.38) MAP1LC3BMAP1LC3ATGFBR1HTR6TSHR
SCHEMBL8539904 0.92 GHSR (0.37) HDAC8MEN1KMT2AMAP1LC3BMAP1LC3A
SCHEMBL8534806 0.90 HDAC8 (0.36) HDAC8MEN1KMT2AMAP1LC3BMAP1LC3A
SCHEMBL7405494 0.87 CNR1 (0.33) SMN1; SMN2
SCHEMBL8535722 0.85 TGFBR1 (0.37) MEN1KMT2ATGFBR1PDE4AGAA
SCHEMBL7367288 0.84 PTGES (0.38) MAP1LC3BMAP1LC3ATGFBR1HTR6POLB
SCHEMBL8534712 0.83 TGFBR1 (0.35) MEN1KMT2ATGFBR1HDAC1PDE4A
SCHEMBL7407674 0.83 HTR6 (0.37) MAP1LC3BMAP1LC3ATGFBR1HTR6TSHR
SCHEMBL8539163 0.81 MEN1 (0.38) HDAC8MEN1KMT2AMAP1LC3BMAP1LC3A
SCHEMBL8538749 0.80 MEN1 (0.37) HDAC8MEN1KMT2AMAP1LC3BMAP1LC3A

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