SCHEMBL9565170

SCHEMBL9565170

O=S(=O)(O)c1ccc2cc(OCCOCCO)ccc2c1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NCF1 P14598 6/20 0.41
APP P05067 5/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
SNCA P37840 1/20 0.39
HRAS P01112 1/20 0.39
KRAS P01116 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9292844 0.99 MAPK1 (0.50) MAPK1KDM4ETDP1SMN1; SMN2NPC1
SCHEMBL9292547 0.91 CA1 (0.48) MAPK1KDM4ETDP1SMN1; SMN2CA12
SCHEMBL9292434 0.90 CA1 (0.49) MAPK1KDM4ETDP1SMN1; SMN2CA12
SCHEMBL9293398 0.88 CA1 (0.48) MAPK1KDM4ETDP1SMN1; SMN2CA12
SCHEMBL9293217 0.88 CA1 (0.48) MAPK1KDM4ETDP1SMN1; SMN2CA12
SCHEMBL8385128 0.86 APP (0.50) MAPK1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL8837953 0.86 APP (0.50) MAPK1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL9565167 0.86 MAPK1 (0.49) MAPK1KDM4ETDP1SMN1; SMN2NPC1
SCHEMBL9293152 0.85 APP (0.51) MAPK1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL14059017 0.82 NCF1 (0.49) MAPK1KDM4ETDP1SMN1; SMN2NPC1

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
EP-0556050-A1 Modified polyester and method of manufacturing same POLYPLASTICS CO. LTD. (JP) 1993-08-18 EP disclosed