SCHEMBL7348790

SCHEMBL7348790

COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.73
HPGD P15428 3/20 0.73
KDM4E B2RXH2 2/20 0.73
POLB P06746 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
USP2 O75604 1/20 0.73
ESR1 P03372 1/20 0.73
THRB P10828 1/20 0.73
ALOX15 P16050 1/20 0.73
PTPN7 P35236 1/20 0.73
RECQL P46063 1/20 0.73
ESR2 Q92731 1/20 0.73
CTDSP1 Q9GZU7 1/20 0.73
SLC2A1 P11166 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 3/20 0.47
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL6479457 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL30520180 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL7327312 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL6479462 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL5020108 1.00 HSD17B10 (0.73) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10964457 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10339936 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL7324499 0.87 TDP1 (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10636932 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1
SCHEMBL10339937 0.87 POLB (0.54) HSD17B10HPGDKDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429060-B1 Benzothiazepines MARION MERRELL DOW INC (US) 1995-04-19 EP disclosed
EP-0158303-B1 A PROCESS FOR THE PREPARATION OF BENZOTHIAZEPIN DERIVATIVES ABIC LTD. (IL) 1991-07-10 EP disclosed
EP-0429060-A2 Benzothiazepines MARION MERRELL DOW INC. (US) 1991-05-29 EP disclosed
US-5001236-A Benzothiazepines MARION LABORATORIES, INC. (US) 1991-03-19 US disclosed
US-4566995-A Process for the preparation of benzothiazepine derivatives ABIC LTD. (IL) 1986-01-28 US disclosed