SCHEMBL7653817

SCHEMBL7653817

COC=C(C(=O)OC)c1ccccc1COC(=O)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7653811 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL7662323 0.84 TRPM8 (0.39) KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7662318 0.84 TRPM8 (0.39) KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7663718 0.84 HCRTR1 (0.35) L3MBTL1NPC1ALDH1A1
SCHEMBL7663712 0.84 HCRTR1 (0.35) L3MBTL1NPC1ALDH1A1
SCHEMBL7169217 0.81 HPGD (0.36) LMNAALDH1A1
SCHEMBL7169218 0.81 HPGD (0.36) LMNAALDH1A1
SCHEMBL10387139 0.81 PPARG (0.47) KMT2AL3MBTL1LMNANPC1RAB9A
SCHEMBL10387140 0.81 PPARG (0.47) KMT2AL3MBTL1LMNANPC1RAB9A
SCHEMBL7662857 0.80 ALDH1A1 (0.41) L3MBTL1LMNAALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465457-B1 CONTROLLING PATHOGENS ON PLANTS OR SEEDS ZENECA LIMITED (GB) 2002-10-15 US disclosed
US-5585513-A CHEMICAL INTERMEDIATES ZENECA LIMITED (GB) 1996-12-17 US disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO disclosed