SCHEMBL4698870

SCHEMBL4698870

CC(C)(C)SCCOC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CHRM2 P08172 2/20 0.43
▸ CHRM4 P08173 2/20 0.43
▸ CHRM5 P08912 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ RAB9A P51151 3/20 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
SCHEMBL4696614 0.88 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL19523497 0.80 ALDH1A1 (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL23039200 0.79 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL844708 0.78 POLB (0.40) HTR1ADRD2HTR2AHTR7RAB9A
SCHEMBL863336 0.77 NAAA (0.45) HTR1ACYP2C19DRD2HTR2AHTR7
SCHEMBL16272977 0.75 HTR1A (0.31) LMNAHTR1ADRD2HTR2AHTR7
SCHEMBL113863 0.75 — —
SCHEMBL4086491 0.74 LMNA (0.46) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL10286927 0.74 THRB (0.48) TSHRHTR1ADRD2HTR2AHTR7
SCHEMBL12285473 0.74 TSHR (0.50) TSHRHTR1AHSD17B10DRD2HTR2A

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-1628998-B1 A TAG FOR PURIFICATION OF PEPTIDES ALMAC SCIENCES SCOTLAND LTD (GB) 2011-02-23 — — EP disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 — — EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 — — WO disclosed
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