SCHEMBL5503145

SCHEMBL5503145

COc1ccc2[nH]c(C)c([C@@H]3C[C@H]3C(=O)O)c2c1Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.37
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 3/20 0.37
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 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
SCHEMBL7699710 0.78 AKR1C2 (0.46) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL7073697 0.77 CA1 (0.37) CA1CA2CA9CA12POLB
SCHEMBL5498679 0.76 TBXAS1 (0.47) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL5503081 0.75 PTPN5 (0.41) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL5500896 0.75 PTPN5 (0.41) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL5495626 0.74 PTPN5 (0.39) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL5500665 0.74 PTPN5 (0.41) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL5496404 0.74 PTPN5 (0.39) PTPN5PDE3BPDE3ATUBB4ATUBB
SCHEMBL7931226 0.72 MME (0.40) PTPN5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5502919 0.71 PTPN5 (0.36) PTPN5PDE3BPDE3ATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 EP disclosed
EP-1146789-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RESEARCH FOUNDATION, INC. (US) 2001-10-24 EP disclosed
WO-2000044225-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/neu CORNELL RESEARCH FOUNDATION, INC. (US) 2000-08-03 WO disclosed