SCHEMBL6033447

SCHEMBL6033447

COc1cc[c]c(OC(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NFE2L2 Q16236 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 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
SCHEMBL28751648 0.89 GAA (0.33)
SCHEMBL7934861 0.82 IRAK4 (0.32)
SCHEMBL77640 0.82 CA9 (0.35) NPC1RAB9ASMN1; SMN2NFE2L2TUBB4A
SCHEMBL28792612 0.78 POLB (0.31) SMN1; SMN2
SCHEMBL8775726 0.76 CA1 (0.39) KMT2A
SCHEMBL9672160 0.74 NFE2L2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28327253 0.73 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2NFE2L2
SCHEMBL9672899 0.73 MAPK1 (0.38) KMT2ARAB9A
SCHEMBL9674315 0.72 PARP10 (0.32)
SCHEMBL9671350 0.72

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-1632470-A2 Calcium receptor active molecules NPS PHARMACEUTICALS, INC. (US) 2006-03-08 EP claimed