SCHEMBL9722708

SCHEMBL9722708

CCCCCC1Sc2ccccc2NC(=O)C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 1/20 0.52
ESR1 P03372 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
PTPN7 P35236 1/20 0.52
RECQL P46063 1/20 0.52
ESR2 Q92731 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL9722706 1.00 HSD17B10 (0.52) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9722712 1.00 HSD17B10 (0.52) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3250724 0.79 HSD17B10 (0.58) HSD17B10KDM4ETSHRGLAHTT
SCHEMBL5671154 0.76 HSD17B10 (0.61) HSD17B10KDM4ETSHRGLAHTT
SCHEMBL9629704 0.73 BRD4 (0.55) HSD17B10KDM4EPOLBTSHRTP53
SCHEMBL10732070 0.72 HSD17B10 (0.61) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL5671626 0.72 HSD17B10 (0.65) HSD17B10KDM4ETSHRGLAHTT
SCHEMBL9287395 0.72 BRD4 (0.57) HSD17B10KDM4ETSHRGLAHTT
SCHEMBL8853215 0.71 BRD4 (0.56) HSD17B10KDM4ETSHRTP53SMN1; SMN2
SCHEMBL10733251 0.71 HSD17B10 (0.62) HSD17B10KDM4EUSP2ESR1POLB

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
US-5128468-A Process for preparing 2-aryl-3-hydroxy-cis-2,3-dihydro-1,5-benzothiazepin-4(5H)-ones and their derivatives FIS--Fabbrica Italiana Sintetici S.p.A. (IT) 1992-07-07 US claimed
US-5128468-A Process for preparing 2-aryl-3-hydroxy-cis-2,3-dihydro-1,5-benzothiazepin-4(5H)-ones and their derivatives FIS--Fabbrica Italiana Sintetici S.p.A. (IT) 1992-07-07 US disclosed
US-5128468-A Process for preparing 2-aryl-3-hydroxy-cis-2,3-dihydro-1,5-benzothiazepin-4(5H)-ones and their derivatives FIS--Fabbrica Italiana Sintetici S.p.A. (IT) 1992-07-07 US disclosed