SCHEMBL4728657

SCHEMBL4728657

COc1ccc2cc(C=CC(=O)C34CC5CC(CC(C5)C3)C4)cnc2c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 12/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TOP2A P11388 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 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
SCHEMBL4731550 0.93 ALDH1A1 (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL8219294 0.87 HPGDS (0.41) HPGDSKMT2ASMN1; SMN2KDM4E
SCHEMBL4729596 0.85 PDGFRB (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL5511163 0.82 RAB9A (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL8214695 0.80 ALDH1A1 (0.40) HPGDSKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6093637 0.79 F3 (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL5505977 0.77 MAOB (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL4730340 0.77 HPGD (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL4730660 0.77 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL5504507 0.76 MEN1 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA

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