SCHEMBL3247442

SCHEMBL3247442

CCOC(=O)OC1Cc2ccc(OC)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 2/20 0.39
MAPT P10636 1/20 0.39
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 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
SCHEMBL3043496 0.81 MAPT (0.45) ALDH1A1KDM4EL3MBTL1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3052246 0.80 MAPT (0.44) ALDH1A1KDM4EL3MBTL1MTNR1AMTNR1B
SCHEMBL1321069 0.79 ALOX15 (0.44) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL13937919 0.76 HTR5A (0.44)
SCHEMBL7309997 0.73 PDE3B (0.41) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL17049209 0.72 ALDH1A1 (0.48) ALOX15ALDH1A1KDM4EHPGDNPC1
Hydrochloric Acid SCHEMBL7313862 0.72 PDE3B (0.40) ALDH1A1KDM4EHPGDMTNR1AMTNR1B
SCHEMBL3241271 0.71 GAA (0.57) ALDH1A1HPGDMTNR1AMTNR1BMAPT
SCHEMBL3250596 0.70 ALOX15 (0.43) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL7958545 0.70 METAP1 (0.43) MTNR1A

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-2066318-B1 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2010-05-12 EP claimed