SCHEMBL18930367

SCHEMBL18930367

CC(C)c1ccccc1C(=O)N1CCSCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 3/20 0.44
P2RX7 Q99572 1/20 0.43
DPP4 P27487 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2 P10415 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL12545919 0.85 HTT (0.57) HPGDHCRTR1HCRTR2HTTHSD17B10
SCHEMBL18930366 0.81 HSP90AA1 (0.62) ALDH1A1HSP90AA1HSP90AB1TSHRKMT2A
SCHEMBL9124992 0.80 ALDH1A1 (0.56) HPGDHTTALDH1A1HSD17B10RAB9A
SCHEMBL25719160 0.76 EPHX1 (0.52) HPGDHTTALDH1A1HSD17B10TSHR
SCHEMBL8804661 0.75 HTT (0.54) HPGDHTTALDH1A1HSD17B10RAB9A
SCHEMBL23761301 0.74 NAMPT (0.46) HCRTR1HCRTR2HSP90AA1HSP90AB1P2RX7
SCHEMBL22019205 0.74 HPGD (0.46) HPGDHTTALDH1A1HSD17B10RAB9A
SCHEMBL19768977 0.73 HTT (0.51) HPGDHTTALDH1A1HSP90AA1HSP90AB1
SCHEMBL12545976 0.73 HTT (0.51) HPGDHTTALDH1A1TSHRMEN1
SCHEMBL12545828 0.73 HTT (0.55) HPGDHCRTR1HCRTR2HTTALDH1A1

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
WO-2017093543-A2 ANTI-BACTERIAL COMPOUNDS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed