SCHEMBL7401104

SCHEMBL7401104

O=C(O)CCN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)SC1=S

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
POLB P06746 4/20 0.72
PPARG P37231 1/20 0.71
APAF1 O14727 1/20 0.70
ADAMTS5 Q9UNA0 1/20 0.70
PSMD14 O00487 1/20 0.62
PLEC Q15149 1/20 0.62
AKR1B1 P15121 9/20 0.61
PTPN1 P18031 5/20 0.61
TAS2R14 Q9NYV8 1/20 0.60
MMP3 P08254 2/20 0.60
MMP13 P45452 2/20 0.60
GFER P55789 1/20 0.59
PTPN2 P17706 2/20 0.59
CISD1 Q9NZ45 2/20 0.58
MAOA P21397 1/20 0.58

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
SCHEMBL7149853 0.94 POLB (0.81) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL7172539 0.93 KMT2A (0.75) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL7172537 0.93 KMT2A (0.75) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL6887184 0.91 KMT2A (0.75) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL6887183 0.91 KMT2A (0.75) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL7147356 0.90 PTPN1 (0.73) KMT2AMEN1POLBADAMTS5AKR1B1
SCHEMBL12008443 0.89 POLB (0.89) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL7150753 0.88 POLB (0.82) KMT2AMEN1POLBPPARGAPAF1
SCHEMBL12008776 0.85 MAPT (0.73) KMT2AMEN1POLBPPARGAKR1B1
SCHEMBL6879197 0.85 AKR1B1 (0.81) KMT2AMEN1POLBAPAF1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189894-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
WO-2001057006-A1 THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 WO disclosed