SCHEMBL9058205

SCHEMBL9058205

[Li]C1(C)C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT6 P42226 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAPT P10636 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
SCHEMBL1397352 0.73 MAPT (0.33) MAPT
Water SCHEMBL6938407 0.71 HSD11B1 (0.32) MAPT
SCHEMBL3418488 0.69 MAPT (0.31) MAPT
SCHEMBL19083712 0.69 HSD11B1 (0.32) MAPT
SCHEMBL40305 0.69 ALDH1A1 (0.33) MAPT
SCHEMBL4858945 0.69 MAPT (0.31) MAPT
SCHEMBL1237995 0.69 LMNA (0.38) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL14411565 0.69 MAPT (0.31) MAPT
SCHEMBL17352397 0.69 ALDH1A1 (0.33) MAPT
SCHEMBL4612492 0.69 HSD11B1 (0.31) MAPT

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
JP-8157485-A None JP disclosed
JP-H08157485-A NEW ORGANOSILICON COMPOUND SHOWA DENKO KK 1996-06-18 JP disclosed