SCHEMBL9116986

SCHEMBL9116986

C#CCN=Cc1cccc([Si](C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ACHE P22303 1/20 0.30
CHRM5 P08912 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
SCHEMBL7572620 0.79 NPC1 (0.56) SMN1; SMN2NPC1CASP3SENP8SENP7
SCHEMBL7572363 0.76 NPC1 (0.56) SMN1; SMN2NPC1CHRM5
SCHEMBL7573586 0.76 NPSR1 (0.45)
SCHEMBL7575022 0.76 CHRM5 (0.56) SMN1; SMN2NPC1CHRM5
SCHEMBL7579153 0.75 CHRM5 (0.60) SMN1; SMN2NPC1CHRM5
SCHEMBL13107935 0.74 LMNA (0.46) CA12CA2CA9SMN1; SMN2NPC1
SCHEMBL3444467 0.74 LMNA (0.46) CA12CA2CA9SMN1; SMN2NPC1
SCHEMBL3444466 0.74 LMNA (0.46) CA12CA2CA9SMN1; SMN2NPC1
SCHEMBL20115842 0.70 ALDH1A1 (0.35) CA12CA2CA9
SCHEMBL7573957 0.70 MEN1 (0.57) CA2SMN1; SMN2NPC1CASP3SENP7

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
WO-1995021848-A1 SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1995-08-17 WO disclosed
US-5430169-A Method for preparation of sphingoid bases THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-07-04 US disclosed