SCHEMBL4634771

SCHEMBL4634771

O=C(O)CCCCCSc1ccc(-c2ccc(C=C3SC(Nc4ccc(C(CCCCCC(=O)O)C(=O)O)cc4)=NC3=O)c(F)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4634770 1.00 HDAC1 (0.31) HDAC1HDAC2HPGDTDP1
SCHEMBL4143537 0.86 HDAC1 (0.31) HDAC1HDAC2
SCHEMBL4143541 0.86 HDAC1 (0.31) HDAC1HDAC2
SCHEMBL4120885 0.83 HPGD (0.34) HPGDTDP1
SCHEMBL4120886 0.83 HPGD (0.34) HPGDTDP1
SCHEMBL4140153 0.77 HDAC1 (0.32) HDAC1HDAC2HPGDTDP1
SCHEMBL4140156 0.77 HDAC1 (0.32) HDAC1HDAC2HPGDTDP1
SCHEMBL4132819 0.76 HDAC1 (0.36) HDAC1HDAC2
SCHEMBL4133702 0.76 MEN1 (0.37) HDAC1
SCHEMBL4133696 0.76 MEN1 (0.37) HDAC1

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