SCHEMBL13355778

SCHEMBL13355778

CC1CC(C)C(C)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
NAAA Q02083 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL13355733 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA9NAAAMEN1
SCHEMBL12714001 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA9NAAAMEN1
SCHEMBL14532832 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA9NAAAMEN1
SCHEMBL14050103 0.76 CHRM5 (0.36) SMN1; SMN2NAAA
SCHEMBL576309 0.74
SCHEMBL13515396 0.74
SCHEMBL5936327 0.74
SCHEMBL5936338 0.74
SCHEMBL24942357 0.73 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL13355779 0.73 CYP2D6 (0.30) SMN1; SMN2

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
EP-2182067-A2 Hybrid polyketide synthases Biotica Technology Limited (GB) 2010-05-05 EP disclosed
EP-0910633-B1 Hybrid polyketide synthase I gene BIOTICA TECH LTD (GB) 2009-12-09 EP disclosed