SCHEMBL9293152

SCHEMBL9293152

O=S(=O)(O)c1ccc(OCCOCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.51
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 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
SCHEMBL8837953 0.98 APP (0.50) APPALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL8385128 0.98 APP (0.50) APPALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL1217133 0.89 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP3A4MAPK1
SCHEMBL4666581 0.88 APP (0.53) APPALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL9359724 0.87 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2CYP3A4MAPK1
SCHEMBL8381611 0.87 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2CYP3A4MAPK1
SCHEMBL9359723 0.87 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2CYP3A4MAPK1
SCHEMBL12743793 0.87 CA12 (0.50) ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1
SCHEMBL466279 0.86 APP (0.51) APPALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL9292844 0.86 MAPK1 (0.50) APPALDH1A1LMNASMN1; SMN2CYP3A4

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-5300332-A Modified with an aromatic sulfonic acid compound; tensile strength POLYPLASTICS CO., LTD. (JP) 1994-04-05 US disclosed