SCHEMBL8219508

SCHEMBL8219508

COc1ccc(/C=C/C(=O)C23CCCC4CC(CC4C2)C3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TOP2A P11388 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GPR183 P32249 5/20 0.36
KCNH2 Q12809 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL4726429 0.85 LMNA (0.51) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8214695 0.81 ALDH1A1 (0.40) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8219294 0.81 HPGDS (0.41) SMN1; SMN2KMT2A
SCHEMBL8213322 0.80 PDGFRB (0.42) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8213285 0.79 MAPT (0.45) MAPTPOLBALDH1A1KMT2ANPC1
SCHEMBL8266779 0.79 MAOB (0.44) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8211974 0.78 GRM1 (0.47) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8221266 0.77 RAB9A (0.49) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8216865 0.77 RAB9A (0.36) LMNAMAPTSMN1; SMN2POLBGAA
SCHEMBL8215908 0.77 CNR2 (0.36) LMNAMAPTSMN1; SMN2POLBGAA

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