SCHEMBL6557314

SCHEMBL6557314

CCCCOC(Cc1ccc(OCc2nc3ccccc3c(=O)n2C)cc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PPARG P37231 3/20 0.51
ACKR3 P25106 7/20 0.49
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE10A Q9Y233 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44

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
SCHEMBL6556030 0.97 L3MBTL1 (0.52) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6557264 0.96 KDM4E (0.56) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6555798 0.93 KDM4E (0.59) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6555771 0.92 KDM4E (0.54) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6555784 0.92 KDM4E (0.58) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6556005 0.91 L3MBTL1 (0.57) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6556105 0.90 KDM4E (0.55) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6555895 0.89 KDM4E (0.59) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6557982 0.88 L3MBTL1 (0.58) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6555770 0.87 KDM4E (0.59) L3MBTL1KDM4EALOX15TSHRTDP1

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