SCHEMBL6556035

SCHEMBL6556035

CCCCCCCCOC(C(=O)O)C(CC)c1ccc(OCc2nc3ccccc3c(=O)n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACKR3 P25106 7/20 0.48
PPARG P37231 1/20 0.46
PDE10A Q9Y233 1/20 0.44
UBE2N P61088 1/20 0.41
NPC1 O15118 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6556105 0.83 KDM4E (0.55) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6555784 0.80 KDM4E (0.58) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6556146 0.79 ALDH1A1 (0.49) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6556030 0.79 L3MBTL1 (0.52) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6556041 0.78 PDE4A (0.47) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6555815 0.77 PPARG (0.44) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6557314 0.76 L3MBTL1 (0.55) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6555770 0.75 KDM4E (0.59) KDM4ETSHRALOX15TDP1L3MBTL1
SCHEMBL6555852 0.74 UBE2N (0.48) KDM4ETSHRPPARGUBE2NNPC1
SCHEMBL6555825 0.73 PPARA (0.61) KDM4ETSHRALOX15TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP claimed