SCHEMBL5498679

SCHEMBL5498679

COc1ccc2[nH]c(C)c(CCC(=O)O)c2c1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
PTPN5 P54829 1/20 0.43
APEX1 P27695 1/20 0.40
GPR17 Q13304 4/20 0.40
FFAR1 O14842 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AKR1C2 P52895 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 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
SCHEMBL7699710 0.89 AKR1C2 (0.46) TBXAS1PTPN5MTNR1AMTNR1BKDM4E
SCHEMBL5499409 0.86 TBXAS1 (0.50) TBXAS1PTPN5APEX1GPR17FFAR1
SCHEMBL5500896 0.83 PTPN5 (0.41) TBXAS1PTPN5MTNR1AMTNR1BAKR1C2
SCHEMBL5503081 0.83 PTPN5 (0.41) TBXAS1PTPN5MTNR1AMTNR1BAKR1C2
SCHEMBL5500665 0.82 PTPN5 (0.41) TBXAS1PTPN5MTNR1AMTNR1BAKR1C2
SCHEMBL7931226 0.82 MME (0.40) PTPN5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5495626 0.80 PTPN5 (0.39) TBXAS1PTPN5MTNR1AMTNR1BAKR1C2
SCHEMBL7698626 0.80 GAA (0.49) TBXAS1PTPN5KDM4EALDH1A1AKR1C2
SCHEMBL7693001 0.78 AKR1C2 (0.49) TBXAS1PTPN5KDM4EALDH1A1AKR1C2
SCHEMBL5496404 0.78 PTPN5 (0.39) TBXAS1PTPN5MTNR1AMTNR1BPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 EP disclosed
WO-2005046650-A1 PHARMACEUTICAL FORMULATION CONTAINING MUSCLE RELAXANT AND COX-II INHIBITOR GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-26 WO disclosed
WO-2005044227-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-19 WO disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 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
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed