SCHEMBL4729592

SCHEMBL4729592

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 14/20 0.42
PDGFRA P16234 14/20 0.42
PKM P14618 1/20 0.37
CNR2 P34972 1/20 0.37
HPGDS O60760 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4731545 0.85 ALDH1A1 (0.46) HPGDSEGFRALDH1A1
SCHEMBL4780927 0.85 ALDH1A1 (0.46) HPGDSEGFRALDH1A1
SCHEMBL4728653 0.85 HPGDS (0.54) HPGDS
SCHEMBL4730657 0.81 MAPT (0.35) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL4730336 0.81 ALDH1A1 (0.36) PDGFRBPDGFRAMEN1KMT2AKDM4E
SCHEMBL5511161 0.79 MGAM (0.49) HPGDSKMT2AKDM4ENPC1ALDH1A1
SCHEMBL5509233 0.76 ABCG2 (0.52) MEN1KMT2A
SCHEMBL4726425 0.75 MAOA (0.47) CNR2MEN1KMT2AKDM4EMAPT
SCHEMBL4729401 0.75 MAOA (0.47) CNR2MEN1KMT2AKDM4EMAPT
SCHEMBL4729596 0.73 PDGFRB (0.50) PDGFRBPDGFRAPKMMEN1KMT2A

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