SCHEMBL14734011

SCHEMBL14734011

Cc1ccc(SCCO)c(SCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
LMNA P02545 4/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
CA2 P00918 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
S100A4 P26447 2/20 0.37
CDC25A P30304 2/20 0.37
CDC25B P30305 2/20 0.37
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.33
ADORA1 P30542 2/20 0.33
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5824807 0.86 L3MBTL1 (0.45) HSD17B10LMNAALOX15MEN1TP53
SCHEMBL8285547 0.82 NPC1 (0.50) HSD17B10ALOX15TP53CA2NPC1
SCHEMBL9515893 0.81 HPGD (0.39) HSD17B10LMNAALOX15MEN1TP53
SCHEMBL14733971 0.76 PKM (0.44) HSD17B10LMNAALOX15MEN1TP53
SCHEMBL8285548 0.76 CA2 (0.63) MAPTCA2RAB9AALDH1A1L3MBTL1
SCHEMBL23120073 0.73 GSTP1 (0.40) HSD17B10LMNAALOX15MEN1TP53
SCHEMBL29595725 0.73 GSTP1 (0.40) HSD17B10LMNAALOX15MEN1TP53
SCHEMBL10035839 0.72 S100A4 (0.50) HSD17B10LMNAMEN1TP53MAPT
SCHEMBL29594315 0.72 S100A4 (0.50) HSD17B10LMNAMEN1TP53MAPT
SCHEMBL9515924 0.71 LMNA (0.45) HSD17B10LMNAALOX15MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748143-B1 MONOMERIC AND OLIGOMERIC UNSATURATED VICINAL DITHIOETHERS AND THEIR USE FOR SELECTIVE PALLADIUM (II) SEPARATION FROM SECONDARY RAW MATERIALS UNIVERSITÄT POTSDAM (DE) 2017-08-16 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
WO-2013026885-A1 MONOMERIC AND OLIGOMERIC UNSATURATED VICINAL DITHIOETHERS AND THEIR USE FOR SELECTIVE PALLADIUM (II) SEPARATION FROM SECONDARY RAW MATERIALS UNIVERSITÄT POTSDAM (DE) 2013-02-28 WO disclosed