SCHEMBL5504603

SCHEMBL5504603

O=C(O)NCCCOc1cccc(-c2ccsc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTB4R Q15722 3/20 0.44
PPARD Q03181 1/20 0.43
MCL1 Q07820 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL9257607 0.80 ALDH1A1 (0.47) HDAC1HDAC2LTB4RPPARDRECQL
SCHEMBL9261099 0.79 LMNA (0.53) LTB4RPPARDKDM4E
SCHEMBL9260900 0.79 LTB4R (0.45) HDAC1HDAC2LTB4RPPARD
SCHEMBL5504598 0.78 LTB4R (0.42) HDAC1HDAC2LTB4RPPARDMCL1
SCHEMBL4901701 0.77 PRMT6 (0.43) LTB4RPPARDKDM4E
SCHEMBL9258896 0.77 LTB4R (0.41) HDAC1HDAC2LTB4RPPARDMCL1
SCHEMBL9255816 0.77 LTB4R (0.43) HDAC1HDAC2LTB4RPPARD
SCHEMBL9258901 0.77 LTB4R (0.41) HDAC1HDAC2LTB4RPPARDMCL1
SCHEMBL3863779 0.76 MTNR1A (0.44) L3MBTL1PPARDRECQLMTNR1AMTNR1B
SCHEMBL14642800 0.76 TAAR1 (0.46) KDM4E

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-1807439-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-07-18 EP disclosed
WO-2006046112-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-04 WO disclosed