SCHEMBL7414653

SCHEMBL7414653

O=C(O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl.[CsH]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
TSHR P16473 2/20 0.56
KMO O15229 4/20 0.54
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.51
ELANE P08246 3/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7288793 0.99 ALDH1A1 (0.61) ALDH1A1MAPTHTTTSHRKMO
SCHEMBL7414650 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHTTTSHRKMO
SCHEMBL7421848 0.89 KDM4E (0.53) ALDH1A1MAPTHTTTSHRPOLB
SCHEMBL7532980 0.87 KDM4E (0.54) ALDH1A1MAPTHTTTSHRPOLB
Hydrochloric Acid SCHEMBL9082014 0.86 KDM4E (0.53) ALDH1A1MAPTHTTTSHRPOLB
SCHEMBL7415610 0.86 ELANE (0.56) ALDH1A1MAPTHTTTSHRKMO
Hydrochloric Acid SCHEMBL7415608 0.85 ELANE (0.55) ALDH1A1MAPTHTTTSHRKMO
SCHEMBL7291611 0.82 ELANE (0.53) ALDH1A1MAPTHTTTSHRKMO
SCHEMBL8584355 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHTTTSHRKMO
SCHEMBL29944824 0.79 ALDH1A1 (0.71) ALDH1A1MAPTHTTTSHRKMO

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-0801648-A4 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0801648-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-10-22 EP disclosed
US-5556909-A PROTEOLYTIC ENZYME INHIBITOR, TREATMENT OF DEGENERATIVE DISEASES, SUCH AS EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI WINTHROP INC. (US) 1996-09-17 US disclosed
WO-1996016951-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed