SCHEMBL3918082

SCHEMBL3918082

CCOS(=O)(=O)c1ccc(C)cc1C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MCOLN3 Q8TDD5 2/20 0.33
SYK P43405 1/20 0.33
EPHX2 P34913 1/20 0.33
CFTR P13569 1/20 0.33
POLB P06746 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL28704162 0.88 PTGDR2 (0.42) TSHRMEN1KMT2APTGDR2MCOLN3
SCHEMBL28467370 0.86 TSHR (0.34) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL29504740 0.85 ALDH1A1 (0.40) ALDH1A1LMNATSHRPTGDR2PDE10A
SCHEMBL16166457 0.85 ALDH1A1 (0.40) ALDH1A1LMNATSHRPTGDR2PDE10A
SCHEMBL29282409 0.83 PTGDR2 (0.36) TSHRMEN1KMT2APTGDR2MCOLN3
SCHEMBL5985763 0.82 PDE10A (0.34) TSHRMEN1KMT2APTGDR2PDE10A
SCHEMBL14157277 0.80 TSHR (0.36) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL28513653 0.80 SYK (0.51) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL14892331 0.80 HTR6 (0.39)
SCHEMBL1121066 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2APTGDR2

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-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed