SCHEMBL7400503

SCHEMBL7400503

C=CCOC(=O)[C@@H](O)CNS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31

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
SCHEMBL7400506 1.00 TDP1 (0.34) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL7390787 0.84 CYP3A4 (0.37) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL7390783 0.84 CYP3A4 (0.37) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL7444000 0.76 TDP1 (0.36) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL7443991 0.76 TDP1 (0.36) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL9240800 0.76 CYP2D6 (0.44) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL9240806 0.76 CYP2D6 (0.44) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL7502619 0.75 GBA1 (0.44) MAPTKMT2ACYP3A4
SCHEMBL7502627 0.75 GBA1 (0.44) MAPTKMT2ACYP3A4
SCHEMBL397303 0.74 TSHR (0.43) TDP1TSHRMAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed