SCHEMBL4635225

SCHEMBL4635225

CCCOc1cc2c(OCCC)cccc2cc1C=C1SC(Nc2ccc(CC(=O)O)c(CCO)c2)=NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 3/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KDM4E B2RXH2 3/20 0.31
RECQL P46063 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
NSD2 O96028 1/20 0.31
APEX1 P27695 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL4635223 0.88 MEN1 (0.39) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4128848 0.87 MEN1 (0.43) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4128846 0.87 MEN1 (0.43) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4131927 0.81 KMT2A (0.42) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4131931 0.81 KMT2A (0.42) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4127484 0.79 MEN1 (0.39) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4127235 0.79 KMT2A (0.39) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4127491 0.79 MEN1 (0.39) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4127754 0.79 KMT2A (0.46) KMT2AMEN1NPC1TDP1MAPT
SCHEMBL4121836 0.79 MEN1 (0.32) KMT2AMEN1

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed