SCHEMBL4726429

SCHEMBL4726429

COc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TOP2A P11388 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42

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
SCHEMBL8219508 0.85 LMNA (0.40) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL6093637 0.80 F3 (0.55) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL4731550 0.77 ALDH1A1 (0.47) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL28608967 0.76 F3 (0.56) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL4728657 0.76 HPGDS (0.46) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL4729596 0.75 PDGFRB (0.50) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL1124609 0.75 P4HTM (0.58) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL20139654 0.75 P4HTM (0.58) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL30034522 0.75 P4HTM (0.58) LMNASMN1; SMN2MAPTPOLBGAA
SCHEMBL28609817 0.75 GSK3B (0.60) LMNASMN1; SMN2MAPTPOLBGAA

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-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed