SCHEMBL3226595

SCHEMBL3226595

C1C2CC1C2.C1CC2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SLC47A1 Q96FL8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8189 1.00
SCHEMBL1230616 1.00 SLC22A2 (0.31) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL7155877 0.94
SCHEMBL6372849 0.94
Water SCHEMBL4709834 0.94
SCHEMBL6053187 0.94
SCHEMBL23044817 0.94
SCHEMBL6053172 0.94
Cyclohexane SCHEMBL8730386 0.89
SCHEMBL2088310 0.89

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
WO-2010009752-A1 CURABLE SILICONE COMPOSITIONS COMPRISING CYCLO-ALKYLPHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 WO disclosed