SCHEMBL7598993

SCHEMBL7598993

COc1ccc2ncc(COc3ccccc3CC(C(=O)O)C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.39
EDNRA P25101 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PLA2G10 O15496 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
SLC1A5 Q15758 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37

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
Hydrochloric Acid SCHEMBL7597575 0.99 MAPT (0.39) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7066492 0.95 MAPT (0.38) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7069540 0.94 MAPT (0.39) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7066027 0.94 MAPT (0.41) MAPTSMN1; SMN2THRBEDNRALMNA
SCHEMBL7603824 0.92 LMNA (0.38) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7069471 0.92 MAPT (0.40) MAPTSMN1; SMN2THRBEDNRALMNA
Hydrochloric Acid SCHEMBL7600294 0.91 LMNA (0.38) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7066511 0.91 PPARA (0.44) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7070063 0.90 MAPT (0.40) MAPTSMN1; SMN2THRBEDNRALMNA
SCHEMBL7069288 0.90 ICAM1 (0.38) MAPTSMN1; SMN2THRBLMNAALDH1A1

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