SCHEMBL4997723

SCHEMBL4997723

COC(=O)c1cccc2cc(B3OC(C)(C)C(C)(C)O3)ccc12.COC(=O)c1cccc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.47
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SCN9A Q15858 1/20 0.37
HSD11B1 P28845 1/20 0.37
HIF1A Q16665 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
F2 P00734 2/20 0.34
F11 P03951 2/20 0.34

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
SCHEMBL272962 0.86 PDE4B (0.51) PDE4BSCN9AHSD11B1MTNR1AMTNR1B
SCHEMBL2382334 0.86 PDE4B (0.48) PDE4BSCN9AHIF1ALIPGLPL
SCHEMBL2114719 0.77 MTNR1A (0.50) PDE4BHSD11B1MTNR1AMTNR1B
SCHEMBL1668906 0.77 LIPG (0.44) PDE4BHIF1ALIPGLPLMTNR1A
SCHEMBL2709514 0.76 PTPN1 (0.51) F2F11PRSS1PRSS2PRSS3
SCHEMBL2115262 0.74 CDC25B (0.48) PDE4BHSD11B1KDM4EALDH1A1NPSR1
SCHEMBL18421821 0.74 CA1 (0.35) CA1CA2CA9HSD11B1HDAC3
SCHEMBL18579781 0.74 P2RX1 (0.48) ALDH1A1HPGDKDR
SCHEMBL29549715 0.74 P2RX1 (0.48) ALDH1A1HPGDKDR
SCHEMBL29549737 0.71 NPC1 (0.48) CA1CA2CA9HPGDKDR

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-1896461-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER Amgen Inc. (US) 2008-03-12 EP disclosed
WO-2007005668-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-01-11 WO disclosed