SCHEMBL8477667

SCHEMBL8477667

O=C1Nc2ccccc2S[C@@H](c2ccccc2)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 1.00
KDM4E B2RXH2 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
POLB P06746 2/20 1.00
USP2 O75604 1/20 1.00
ESR1 P03372 1/20 1.00
THRB P10828 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
PTPN7 P35236 1/20 1.00
RECQL P46063 1/20 1.00
ESR2 Q92731 1/20 1.00
CTDSP1 Q9GZU7 1/20 1.00
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.45
CA2 P00918 1/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL8477662 1.00 HSD17B10 (1.00) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL2117385 1.00 HSD17B10 (1.00) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL30923529 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL11021033 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL11021035 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL10897219 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL30923527 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL30923534 0.88 HSD17B10 (0.79) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL9726349 0.85 HSD17B10 (0.73) HSD17B10KDM4ETDP1POLBUSP2
SCHEMBL9206274 0.85 HSD17B10 (0.73) HSD17B10KDM4ETDP1POLBUSP2

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
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 US claimed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 EP claimed
US-5945533-A Process for preparing optically active benzothiazepine compound and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1999-08-31 US disclosed
EP-0826678-A1 Process for preparing optically active benzothiazepine compound, and intermediate therefor TANABE SEIYAKU CO., LTD. (JP) 1998-03-04 EP disclosed
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 US disclosed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 EP disclosed