SCHEMBL4081385

SCHEMBL4081385

O=C(O)c1ccc(C(=O)[AsH2])c(NCC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
KDM4C Q9H3R0 3/20 0.48
CREBBP Q92793 3/20 0.47
PTGER4 P35408 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 5/20 0.40
PIM1 P11309 1/20 0.39
HCAR3 P49019 1/20 0.39
KMT2A Q03164 1/20 0.38
CRHR1 P34998 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2425635 0.86 HSP90AA1 (0.52) LIPCLIPGKDM4CCREBBPPTGER4
SCHEMBL15774700 0.77 PTGER4 (0.67) LIPCLIPGKDM4CCREBBPPTGER4
SCHEMBL13450266 0.77 HSP90AA1 (0.51) LIPCLIPGKDM4CCREBBPPTGER4
SCHEMBL29673306 0.73 LIPC (0.47) LIPCLIPGKDM4CCREBBPPTGER4
SCHEMBL20587134 0.73 LIPC (0.47) LIPCLIPGKDM4CCREBBPPTGER4
SCHEMBL3972333 0.72 HSP90AA1 (0.43) LIPCLIPGCREBBPPTGER4KDM4E
SCHEMBL17371276 0.72 KMT2A (0.49) LIPCLIPGKDM4CPIM1KMT2A
SCHEMBL13450306 0.71 HSP90AA1 (0.54) LIPCLIPGCREBBPPTGER4HSP90AA1
SCHEMBL13451066 0.69 HSP90AA1 (0.65) CREBBPPTGER4HSP90AA1HSP90AB1
SCHEMBL194971 0.69 KDM4C (0.63) LIPCLIPGKDM4CKDM4EASPH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed