SCHEMBL7705191

SCHEMBL7705191

CO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)C1CC1(C)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.52
C5AR1 P21730 1/20 0.34
P2RX7 Q99572 1/20 0.33
OPRM1 P35372 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGS2 P35354 1/20 0.32
F10 P00742 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6156221 1.00 HIF1A (0.52) HIF1AC5AR1P2RX7OPRM1SMN1; SMN2
SCHEMBL6155881 0.93 HIF1A (0.48) HIF1AOPRM1SMN1; SMN2PTGS2LMNA
SCHEMBL6155877 0.93 HIF1A (0.48) HIF1AOPRM1SMN1; SMN2PTGS2LMNA
SCHEMBL6155883 0.93 HIF1A (0.48) HIF1AOPRM1SMN1; SMN2PTGS2LMNA
SCHEMBL6156925 0.91 HIF1A (0.41) HIF1AC5AR1SMN1; SMN2F10TP53
SCHEMBL7108856 0.85 HIF1A (0.45) HIF1AP2RX7PTGS2LMNAMAPT
SCHEMBL6156942 0.83 HIF1A (0.38) HIF1AOPRM1SMN1; SMN2LMNAMAPT
SCHEMBL6156949 0.83 HIF1A (0.38) HIF1AOPRM1SMN1; SMN2LMNAMAPT
SCHEMBL6157929 0.82 HIF1A (0.36) HIF1AOPRM1SMN1; SMN2LMNAMAPT
SCHEMBL6156120 0.82 HIF1A (0.36) HIF1AOPRM1SMN1; SMN2LMNAMAPT

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-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed