SCHEMBL7628481

SCHEMBL7628481

[CH2]CCOc1ccc(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
AOC3 Q16853 3/20 0.40
TUBB1 Q9H4B7 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FDPS P14324 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TUBB4A P04350 1/20 0.37

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
SCHEMBL11105088 0.88 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1LMNAMAPTHPGD
SCHEMBL28045277 0.81 TUBB4A (0.47) SMN1; SMN2AOC3TUBB1MAPTHPGD
SCHEMBL11104763 0.77 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1LMNAMAPTHPGD
SCHEMBL2001469 0.77 L3MBTL1 (0.58) SMN1; SMN2MAPK1LMNAMAPTHPGD
SCHEMBL3674074 0.76 CA9 (0.50) SMN1; SMN2AOC3MAPTHPGDKMT2A
SCHEMBL30701949 0.76 CA9 (0.50) SMN1; SMN2AOC3MAPTHPGDKMT2A
SCHEMBL5841179 0.76 PLAU (0.48) SMN1; SMN2AOC3TUBB1MAPK1LMNA
SCHEMBL6608879 0.75 CA12 (0.61) SMN1; SMN2LMNAMAPTHPGDMEN1
SCHEMBL6475127 0.75 L3MBTL1 (0.65) SMN1; SMN2MAPK1LMNAMAPTHPGD
SCHEMBL2591219 0.74 SMN1; SMN2 (0.43) SMN1; SMN2AOC3MAPTNPC1RAB9A

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-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 EP disclosed