SCHEMBL8550835

SCHEMBL8550835

CCOC(=O)CCC(Oc1cc(OCc2cccnc2)ccc1-c1cc(C(=O)OCC)[nH]n1)c1ccccc1CC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HPGDS O60760 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GPR132 Q9UNW8 2/20 0.36
MMP13 P45452 1/20 0.35

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
SCHEMBL7900847 0.94 HPGDS (0.40) MAPTPOLBHPGDS
SCHEMBL7900844 0.94 HPGDS (0.40) MAPTPOLBHPGDS
SCHEMBL8550839 0.89 HPGDS (0.39) MAPTPOLBNPSR1HPGDSNPC1
SCHEMBL7900697 0.88 HPGDS (0.41) MAPTPOLBHPGDS
SCHEMBL7901092 0.81 MAPT (0.42) MAPTPOLBNPSR1
SCHEMBL8551572 0.81 HPGDS (0.38) HPGDS
SCHEMBL7914766 0.81 MAPT (0.38) MAPTPOLBNPSR1GPR132
SCHEMBL7914768 0.81 MAPT (0.38) MAPTPOLBNPSR1GPR132
SCHEMBL7907987 0.80 POLB (0.42) MAPTPOLB
SCHEMBL7907975 0.80 POLB (0.42) MAPTPOLB

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed