SCHEMBL20002011

SCHEMBL20002011

C[C@H](O)C12CCC(CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL2239665 1.00 SLC22A2 (0.36) SLC22A2SLC47A1MAPTSMN1; SMN2NPC1
SCHEMBL21401948 1.00 SLC22A2 (0.36) SLC22A2SLC47A1MAPTSMN1; SMN2NPC1
SCHEMBL20042215 0.81 SMN1; SMN2 (0.34) SLC22A2SLC47A1MAPTSMN1; SMN2
SCHEMBL20042213 0.81 SMN1; SMN2 (0.34) SLC22A2SLC47A1MAPTSMN1; SMN2
SCHEMBL20042216 0.81 SMN1; SMN2 (0.34) SLC22A2SLC47A1MAPTSMN1; SMN2
SCHEMBL191884 0.79 GRIN2D (0.41) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL1054419 0.79
SCHEMBL25237741 0.78
SCHEMBL31345052 0.78
SCHEMBL10791429 0.75 SLC22A2 (0.36) SLC22A2SLC47A1MAPTGRIN2DGRIN3B

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-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 WO disclosed