SCHEMBL13616965

SCHEMBL13616965

CCCCn1cc(C)cc(C)c1=S

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
TYR P14679 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40
TLR8 Q9NR97 6/20 0.38
NR1I2 O75469 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL215974 0.82 TYR (0.49) CNR2TYRPOLBALDH1A1KMT2A
SCHEMBL217818 0.80 CNR2 (0.53) CNR2TYRPOLBALDH1A1KMT2A
SCHEMBL217912 0.71 CNR2 (0.44) CNR2TYRPOLBALDH1A1KMT2A
Dimethylamine SCHEMBL218292 0.68 CNR2 (0.42) CNR2TYRPOLBALDH1A1KMT2A
SCHEMBL2141794 0.67 GPR84 (0.39) CNR2TYRPOLBALDH1A1KMT2A
SCHEMBL216349 0.66 TYR (0.43) CNR2TYRTLR8
SCHEMBL19164856 0.66 ALDH1A1 (0.48) CNR2TYRPOLBALDH1A1KMT2A
SCHEMBL8630383 0.65 TLR8 (0.33) TYRKMT2ATLR8
SCHEMBL18625864 0.65 KMT2A (0.37) TYRPOLBALDH1A1KMT2ALMNA
SCHEMBL587358 0.64 LPO (0.50) CNR2TYRPOLBALDH1A1KMT2A

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-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed