SCHEMBL7260898

SCHEMBL7260898

O=C(O)Oc1c(OC(=O)O)c2c(c(C(=O)O)c1C(=O)O)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APAF1 O14727 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.44
IDO1 P14902 1/20 0.42
MEN1 O00255 5/20 0.40
MAPK1 P28482 3/20 0.40
THRB P10828 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 1/20 0.39
TTR P02766 5/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
MCL1 Q07820 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
SCHEMBL6003260 0.80 MAPT (0.57) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL27961005 0.79 MAPT (0.55) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL10399533 0.77 MAPT (0.53) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL5309284 0.77 MAPT (0.47) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL10884047 0.75 MEN1 (0.53) MAPTKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5306728 0.72 MAPT (0.57) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL8756313 0.71 MAPT (0.55) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL11357255 0.71 MAPT (0.57) MAPTKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL27883703 0.70 MAPT (0.50) MAPTKMT2AALDH1A1L3MBTL1APAF1
SCHEMBL9131211 0.70 ALDH1A1 (0.52) MAPTKMT2AALDH1A1L3MBTL1APAF1

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
EP-1045863-B1 DETOXICATION OF ACTIVE PHARMACEUTICAL SUBSTANCES USING CYCLODEXTRINE OLIGOMERS CERAMOPTEC INC (US) 2003-04-02 EP claimed
US-6642214-B1 Oligomer consisting of two cyclodextrin molecules joined by bifunctional spacer, optionally having affinity group which interacts with molecular target structure; physical inclusion complex formed with drug reduces side effects CERAMOPTEC INDUSTRIES, INC. 2003-11-04 US disclosed