SCHEMBL7294847

SCHEMBL7294847

COc1ccc([C@H]2Sc3cc(Oc4ccc(F)cc4)ccc3NC(=O)[C@H]2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 2/20 0.39
MAOB P27338 5/20 0.38
MAOA P21397 1/20 0.38
TP53 P04637 1/20 0.37
SNCA P37840 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7294856 1.00 POLB (0.46) POLBKDM4EUSP2ESR1THRB
SCHEMBL7285101 0.94 TDP1 (0.51) POLBKDM4EUSP2ESR1THRB
SCHEMBL7285087 0.94 TDP1 (0.51) POLBKDM4EUSP2ESR1THRB
SCHEMBL10637033 0.91 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL10966427 0.91 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL10637046 0.91 POLB (0.50) POLBKDM4EUSP2ESR1THRB
SCHEMBL7285681 0.90 TDP1 (0.56) POLBKDM4EUSP2ESR1THRB
SCHEMBL7285694 0.90 TDP1 (0.56) POLBKDM4EUSP2ESR1THRB
SCHEMBL7287036 0.89 KDM4E (0.46) POLBKDM4EUSP2ESR1THRB
SCHEMBL7287025 0.89 KDM4E (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353032-B1 1,5-BENZOTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Sankyo Company Limited (JP) 1992-02-26 EP disclosed
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 US disclosed
EP-0353032-A1 1,5-benzothiazepine derivatives, their preparation and their use in the treatment of cardiovascular disorders Sankyo Company Limited (JP) 1990-01-31 EP disclosed