SCHEMBL7604848

SCHEMBL7604848

O=C(O)C(Cc1ccccc1OCc1cnc2ccccc2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
PDE10A Q9Y233 3/20 0.41
TPH1 P17752 1/20 0.41
CFTR P13569 1/20 0.41
SCN9A Q15858 1/20 0.41
KDR P35968 1/20 0.40
NOTUM Q6P988 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 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
SCHEMBL7066080 0.93 SMN1; SMN2 (0.41) MGAMRAB9AHTTSMN1; SMN2STAT3
SCHEMBL7065961 0.91 MME (0.40) MGAMRAB9AHTTSMN1; SMN2STAT3
SCHEMBL7069548 0.91 PDE10A (0.42) RAB9AHTTSMN1; SMN2STAT3PDE10A
SCHEMBL7067687 0.91 MGAM (0.41) MGAMRAB9AHTTSMN1; SMN2STAT3
SCHEMBL7065979 0.90 MME (0.42) MGAMRAB9AHTTSMN1; SMN2STAT3
SCHEMBL7068772 0.88 PDE10A (0.42) MGAMRAB9AHTTSMN1; SMN2STAT3
SCHEMBL7067709 0.88 MEN1 (0.41) RAB9APDE10ASCN9ASIRT2MME
SCHEMBL7069271 0.87 PPARA (0.49)
SCHEMBL7069282 0.86 PPARG (0.45) HTTSMN1; SMN2STAT3PDE10ASCN9A
SCHEMBL7069231 0.86 PPARG (0.39) MGAMRAB9AHTTSMN1; SMN2STAT3

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-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP disclosed