SCHEMBL8772799

SCHEMBL8772799

CCOc1ccc(OCC)c(NCc2ccc(OC)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
BLM P54132 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
GPR35 Q9HC97 1/20 0.47
DHFR P00374 1/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL11320953 0.83 MEN1 (0.44) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL6536639 0.80 MAPT (0.45) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL8772797 0.79 ALDH1A1 (0.58) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL10683477 0.79 MEN1 (0.42) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL11198617 0.75 ALDH1A1 (0.55) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL1520629 0.75 L3MBTL1 (0.66) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL20183047 0.74 ALDH1A1 (0.59) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL11523980 0.74 EPHX1 (0.54) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL30691740 0.74 HDAC8 (0.60) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL597148 0.73 MAPT (0.61) KMT2AMAPTMEN1CRHBPCRHR2

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