SCHEMBL4730660

SCHEMBL4730660

O=C(C=Cc1cnc2cc3c(cc2c1)OCCO3)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TOP2A P11388 1/20 0.33

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
SCHEMBL4730340 0.93 HPGD (0.41) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL8221280 0.86 MEN1 (0.33) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL4729596 0.81 PDGFRB (0.50) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL5511163 0.80 RAB9A (0.60) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL8214243 0.80 HPGD (0.33) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL5503643 0.78 KDM4E (0.59) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL4731550 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL4728657 0.77 HPGDS (0.46) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL4731779 0.73 GRM1 (0.51) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL4730657 0.73 MAPT (0.35) SMN1; SMN2LMNAALDH1A1KMT2APOLB

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