SCHEMBL14647288

SCHEMBL14647288

CS(=O)(=O)C[C@H]1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
PDE8B O95263 2/20 0.35
TSHR P16473 1/20 0.35
GRIN1 Q05586 1/20 0.35
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL30509807 1.00 PKM (0.36) PKMKMT2AMEN1LMNAPER2
SCHEMBL4301170 0.94 PKM (0.41) PKMKMT2AMEN1LMNAALDH1A1
SCHEMBL18665525 0.94 PKM (0.41) PKMKMT2AMEN1LMNAALDH1A1
SCHEMBL4287801 0.94 PKM (0.41) PKMKMT2AMEN1LMNAALDH1A1
SCHEMBL7561464 0.82
SCHEMBL13486887 0.80
SCHEMBL153432 0.80
SCHEMBL13486886 0.80
SCHEMBL4770390 0.79 ALDH1A1 (0.36) PKMLMNAALDH1A1SMN1; SMN2NR2F2
SCHEMBL5490567 0.79 HPGD (0.38) PKMKMT2AMEN1LMNAALDH1A1

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-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed