SCHEMBL7302081

SCHEMBL7302081

COc1ccc([C@@H]2Sc3cc(Cl)ccc3NC(=O)C2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ESR1 P03372 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOX1 Q9Y5S8 1/20 0.43
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
ADAMTS5 Q9UNA0 2/20 0.38
MAOA P21397 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
SCHEMBL7311704 1.00 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL7435978 1.00 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL9209868 1.00 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL7302074 1.00 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL7287025 0.91 KDM4E (0.46) POLBKDM4EUSP2ESR1THRB
SCHEMBL7287036 0.91 KDM4E (0.46) POLBKDM4EUSP2ESR1THRB
SCHEMBL9076449 0.91 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL7322502 0.90 TDP1 (0.54) POLBKDM4EUSP2ESR1THRB
SCHEMBL7324499 0.90 TDP1 (0.54) POLBKDM4EUSP2ESR1THRB
SCHEMBL7324505 0.90 TDP1 (0.54) POLBKDM4EUSP2ESR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0615971-B1 5-(Piperazinylalkyl)-1,5-benzothiazepinones useful as calcium antagonists SHIONOGI & CO (JP) 1997-08-13 EP disclosed
US-5462936-A Administering for treatment of hypertension and ischemic diseases SHIONOGI & CO., LTD. (JP) 1995-10-31 US disclosed
EP-0541263-B1 5-piperazinylalkyl-1,5-benzothiazepinones useful as calcium antagonists SHIONOGI & CO (JP) 1995-01-11 EP disclosed
US-5378698-A Hypotensive and antiischemic agents SHIONOGI & CO., LTD. (JP) 1995-01-03 US disclosed
EP-0615971-A1 5-(Piperazinylalkyl)-1,5-benzothiazepinones useful as calcium antagonists SHIONOGI & CO., LTD. (JP) 1994-09-21 EP disclosed
EP-0541263-A1 5-piperazinylalkyl-1,5-benzothiazepinones useful as calcium antagonists SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-05-12 EP disclosed