SCHEMBL6994893

SCHEMBL6994893

CC1(C)Oc2cc(Cl)c(O)cc2C1=S

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.38
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6986828 0.79 FTO (0.38) FTOHPGDTSHRHSD17B10
SCHEMBL6992092 0.71 MAPT (0.50) HPGDTDP1
SCHEMBL11850892 0.68 FTO (0.40) FTOTDP1
SCHEMBL26768896 0.67 FTO (0.40) FTOHSD17B10
SCHEMBL26767281 0.66 CNR2 (0.42) FTOHPGD
SCHEMBL3238540 0.61 PPARG (0.44) FTOHPGDTSHRHSD17B10TDP1
SCHEMBL9327955 0.61 FTO (0.61) FTOHPGDTSHRHSD17B10TDP1
SCHEMBL3246809 0.60 PPARA (0.46) FTO
SCHEMBL10357236 0.60 HSD17B10 (0.67) HPGDTSHRHSD17B10TDP1
SCHEMBL30633867 0.60 AHR (0.68) FTOHPGDTSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863906-B1 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2003-02-12 EP disclosed
US-6107036-A Heterocyclic dioxethane substrates, process for their preparation and their use ROCHE DIAGNOSTICS GMBH (DE) 2000-08-22 US disclosed
EP-0863906-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1998-09-16 EP disclosed
WO-1997014696-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1997-04-24 WO disclosed