SCHEMBL8550839

SCHEMBL8550839

CCOC(=O)c1cc(-c2ccc(OCc3cccnc3)cc2OC(CC(CC)C(=O)O)c2ccccc2CC)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
GPR132 Q9UNW8 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
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 0.90 HPGDS (0.40) HPGDSMAPTPOLB
SCHEMBL7900844 0.90 HPGDS (0.40) HPGDSMAPTPOLB
SCHEMBL8550835 0.89 MAPT (0.40) HPGDSMAPTPOLBGPR132NPSR1
SCHEMBL7900697 0.84 HPGDS (0.41) HPGDSMAPTPOLB
SCHEMBL8551576 0.81
SCHEMBL7901092 0.78 MAPT (0.42) MAPTPOLBNPSR1
SCHEMBL7907989 0.76 POLB (0.42) MAPTPOLB
SCHEMBL7907987 0.76 POLB (0.42) MAPTPOLB
SCHEMBL7907975 0.76 POLB (0.42) MAPTPOLB
SCHEMBL7911349 0.76 HPGDS (0.53) HPGDSMAPTPOLBGABRA1GABRG2

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