SCHEMBL8772797

SCHEMBL8772797

CCOc1ccc(OCC)c(NCc2ccccc2OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 4/20 0.58
GAA P10253 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DHFR P00374 1/20 0.48
ATM Q13315 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
CRHBP P24387 1/20 0.48
MAPK1 P28482 1/20 0.48
CRHR2 Q13324 1/20 0.48
CACNA2D1 P54289 1/20 0.47

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
SCHEMBL29731063 0.83 DHFR (0.47) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL8772799 0.79 KMT2A (0.53) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL3410106 0.76 GAA (0.81) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL8356889 0.75 TSHR (0.56) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL13726348 0.73 MAPT (1.00) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL11118394 0.73 MAPT (0.82) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL27907643 0.72 HIF1A (0.56) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL6069421 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL6069338 0.71 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKDM4EGAA
Hydrochloric Acid SCHEMBL6069870 0.71 ALDH1A1 (0.55) ALDH1A1HPGDMAPTKDM4EGAA

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-0561847-B1 PHOTOSENSITIVE POLYMERS AND PRINTING PLATES LASTRA SPA (IT) 1997-08-27 EP disclosed