SCHEMBL4729596

SCHEMBL4729596

COc1cc2cc(C=CC(=O)C34CC5CC(CC(C5)C3)C4)cnc2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 10/20 0.50
PDGFRA P16234 10/20 0.50
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
EGFR P00533 1/20 0.49
TOP2A P11388 3/20 0.48
KDM4E B2RXH2 2/20 0.40
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8213322 0.86 PDGFRB (0.42) PDGFRBPDGFRAKMT2ASMN1; SMN2MEN1
SCHEMBL4731550 0.86 ALDH1A1 (0.47) PDGFRBPDGFRAKMT2ASMN1; SMN2MEN1
SCHEMBL4728657 0.85 HPGDS (0.46) PDGFRBPDGFRAKMT2ASMN1; SMN2MEN1
SCHEMBL4730660 0.81 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL4730340 0.81 HPGD (0.41) PDGFRBPDGFRAKMT2ASMN1; SMN2MEN1
SCHEMBL5511163 0.79 RAB9A (0.60) PDGFRBPDGFRAKMT2ASMN1; SMN2MEN1
SCHEMBL5509239 0.76 ALDH1A1 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL16052805 0.76 ALDH1A1 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL4726429 0.75 LMNA (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL8214695 0.74 ALDH1A1 (0.40) PDGFRBPDGFRAKMT2ASMN1; SMN2MEN1

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