SCHEMBL9017240

SCHEMBL9017240

O=C(NCCC(C(=O)O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.64
SLC1A1 P43005 1/20 0.64
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
FOLH1 Q04609 4/20 0.54
TGM2 P21980 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
MAPT P10636 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL30214739 0.87 L3MBTL1 (0.59) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL334927 0.85 SLC1A3 (0.64) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL735799 0.85 SLC1A3 (0.64) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL25413770 0.85 HTT (0.68) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL334926 0.85 SLC1A3 (0.64) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL7752769 0.84 LMNA (0.67) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL29401172 0.84 SLC1A3 (0.78) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL8390660 0.84 SLC1A3 (0.78) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL16269912 0.84 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL18085402 0.84 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537905-B1 Water soluble derivatives of taxol with anti-neoplastic activity VIRGINIA TECH INTELL PROP (US) 1996-03-06 EP disclosed
US-5352805-A Reaction with a glycol; storage stability; antitumor, anticarcinogenic agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1994-10-04 US disclosed
EP-0537905-A1 Water soluble derivatives of taxol with anti-neoplastic activity VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1993-04-21 EP disclosed
EP-0473326-A1 Water soluble derivatives of taxol VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1992-03-04 EP disclosed
US-5059699-A Antitumor agents; stability VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1991-10-22 US disclosed