SCHEMBL6070482

SCHEMBL6070482

COc1cc(C=O)c(-c2ccc(OCc3ccccc3)cc2C2(C)OCCS2)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.42
MAOB P27338 6/20 0.39
ERN1 O75460 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 4/20 0.36
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35

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
SCHEMBL6069413 0.77 MAOB (0.49) TUBB1MAOBERN1MEN1KMT2A
SCHEMBL5805630 0.74 TUBB1 (0.45) TUBB1MAOBERN1MEN1KMT2A
SCHEMBL6069371 0.73 MAOB (0.43) MAOBALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL6070416 0.67 TUBB4A (0.61) TUBB1MAOBMEN1KMT2AALDH1A1
SCHEMBL435043 0.66 ALDH1A1 (0.61) TUBB1MAOBERN1ALDH1A1KDM4E
SCHEMBL6035502 0.66 TUBB1 (0.72) TUBB1MAOBERN1MEN1KMT2A
SCHEMBL24140500 0.65 ERN1 (0.50) TUBB1ERN1MEN1KMT2AALDH1A1
SCHEMBL20815159 0.65 TUBB1 (0.58) TUBB1MAOBERN1MEN1KMT2A
SCHEMBL15175259 0.64 ERN1 (0.56) TUBB1MAOBERN1KDM4ENPC1
SCHEMBL7383233 0.64 TUBB1 (0.55) TUBB1MAOBERN1KDM4ENPSR1

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
WO-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed