SCHEMBL10850481

SCHEMBL10850481

COc1ccc(COCCOC(=O)C(C)Oc2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CALM1 P0DP23 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
MIF P14174 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL10853704 0.90 L3MBTL1 (0.49) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL10855150 0.90 LMNA (0.46) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL10855930 0.88 L3MBTL1 (0.45) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL10666272 0.88 EPHX2 (0.49) L3MBTL1LMNATDP1GAA
SCHEMBL10664891 0.88 LMNA (0.60) MAPTL3MBTL1LMNATSHRTDP1
SCHEMBL10666096 0.87 LMNA (0.59) MAPTL3MBTL1LMNATSHRTDP1
SCHEMBL1245122 0.84 TAS1R3 (0.61) SMN1; SMN2MAPTL3MBTL1LMNATAS1R3
SCHEMBL10852426 0.84 HTR2A (0.55) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL10973862 0.83 GAA (0.46) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL10854102 0.83 GAA (0.50) L3MBTL1LMNATSHRTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed