SCHEMBL4636093

SCHEMBL4636093

O=C(O)CCCCCSc1ccc(-c2ccc(/C=C3/SC(Nc4ccc(C(S)(C(=O)O)c5ccccc5)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ALOX5 P09917 8/20 0.35
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
AKR1B1 P15121 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.30
MAPT P10636 3/20 0.30
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 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
SCHEMBL4132819 0.84 HDAC1 (0.36) HDAC1HDAC2ALOX5ALDH1A1HDAC3
SCHEMBL4140156 0.77 HDAC1 (0.32) HDAC1HDAC2ALOX5MAPT
SCHEMBL4140153 0.77 HDAC1 (0.32) HDAC1HDAC2ALOX5MAPT
SCHEMBL4775069 0.71 ALOX5 (0.35) ALOX5ALDH1A1PTPN22MAPT
SCHEMBL4132443 0.71 FFAR1 (0.47) ALOX5AKR1B1GAALMNA
SCHEMBL4132445 0.71 FFAR1 (0.47) ALOX5AKR1B1GAALMNA
SCHEMBL4634771 0.71 HDAC1 (0.31) HDAC1HDAC2
SCHEMBL4634770 0.71 HDAC1 (0.31) HDAC1HDAC2
Propionic Acid SCHEMBL4128553 0.70 ALOX5 (0.46) ALOX5ALDH1A1AKR1B1PTPN22MAPT
SCHEMBL4138655 0.69 ALOX5 (0.46) ALOX5ALDH1A1MAPTGAAPOLB

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