SCHEMBL7589787

SCHEMBL7589787

CCC(=O)C(C)SCc1ccco1.CCC(Br)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 4/20 0.37
RAB9A P51151 4/20 0.37
HSD17B10 Q99714 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.35
POLB P06746 4/20 0.35
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 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
SCHEMBL7591418 0.91 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL7592515 0.88 TSHR (0.42) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL7589790 0.83 TSHR (0.38) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL7589709 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL7591422 0.77 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL7590034 0.74 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL1641497 0.74 TSHR (0.48) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL25385023 0.73 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL25384147 0.72 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRAB9AHSD17B10
SCHEMBL14861563 0.71 ALDH1A1 (0.53) ALDH1A1MAPTHPGDRAB9AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811618-B1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 2002-10-23 EP disclosed
EP-0811618-A1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 1997-12-10 EP disclosed