SCHEMBL7603469

SCHEMBL7603469

COc1ccc2ncc(COc3cccc(C)c3CC(C(=O)O)C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
CXCR5 P32302 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PPARG P37231 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
EDNRA P25101 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34

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
SCHEMBL7598993 0.87 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7597575 0.86 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7603824 0.85 LMNA (0.38) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7600294 0.84 LMNA (0.38) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7066492 0.83 MAPT (0.38) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7065983 0.82 MAPT (0.37) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7069540 0.82 MAPT (0.39) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7066027 0.81 MAPT (0.41) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7070221 0.81 MAPT (0.38) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7066511 0.81 PPARA (0.44) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP disclosed