SCHEMBL2582266

SCHEMBL2582266

FC(F)(F)COc1[c]c(OCC2CC2)ccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
PDK2 Q15119 3/20 0.35
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DCPS Q96C86 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
IDH2 P48735 1/20 0.31
TLR4 O00206 1/20 0.31
TLR2 O60603 1/20 0.31

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
SCHEMBL3022736 0.84 MAPT (0.38)
SCHEMBL16970011 0.78 TLR4 (0.35) RIPK1PARP15PARP10PARP2TLR4
SCHEMBL4534691 0.78 TDP1 (0.39) RIPK1PARP15PARP10PARP2TLR4
SCHEMBL17046264 0.76 SMN1; SMN2 (0.33)
SCHEMBL4689042 0.75 PARP15 (0.37) RIPK1PARP15PARP10PARP2TLR4
SCHEMBL4601200 0.74 RIPK1 (0.36) RIPK1PARP15PARP10PARP2TLR4
SCHEMBL27907014 0.73 ALDH1A1 (0.31)
SCHEMBL22587766 0.73 ALDH1A1 (0.32)
SCHEMBL17164203 0.72 MCHR1 (0.38) PARP15PARP10TLR4TLR2
SCHEMBL17164084 0.72 MCHR1 (0.38) PARP15PARP10PARP2TLR4TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed