SCHEMBL8409075

SCHEMBL8409075

O=C(Nc1cccc(OCc2ccccc2)c1)C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.72
SMN1; SMN2 Q16637 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.60
SIRT1 Q96EB6 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60

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
SCHEMBL4882317 0.87 F10 (0.57) F10SIRT2SIRT1SIRT3
SCHEMBL5249717 0.81 NR1H4 (0.65) SIRT2
SCHEMBL8529894 0.80 RAB9A (0.70) SMN1; SMN2
SCHEMBL4883970 0.80 NR1H4 (0.53) F10
SCHEMBL12250976 0.80 NPSR1 (0.58) F10SMN1; SMN2
SCHEMBL28390021 0.80 MEN1 (0.71) SIRT2
SCHEMBL9097751 0.80 F10 (0.52) F10
SCHEMBL1613254 0.80 RAB9A (0.51) F10SMN1; SMN2SIRT2SIRT1SIRT3
SCHEMBL12302912 0.79 MTNR1A (0.73) SMN1; SMN2
SCHEMBL8119011 0.79 SIRT2 (0.64) SIRT2

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
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed