SCHEMBL2928366

SCHEMBL2928366

COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.78
MEN1 O00255 2/20 0.74
POLB P06746 2/20 0.74
MAPT P10636 2/20 0.74
KMT2A Q03164 2/20 0.74
ALOX5 P09917 4/20 0.71
TUBB4A P04350 2/20 0.71
TUBB P07437 2/20 0.71
TUBA3C P0DPH7 2/20 0.71
TUBA1B P68363 2/20 0.71
TUBA4A P68366 2/20 0.71
TUBB4B P68371 2/20 0.71
TUBB3 Q13509 2/20 0.71
TUBB2A Q13885 2/20 0.71
TUBB8 Q3ZCM7 2/20 0.71
TUBA3E Q6PEY2 2/20 0.71
TUBA1A Q71U36 2/20 0.71
TUBA1C Q9BQE3 2/20 0.71
TUBB6 Q9BUF5 2/20 0.71
TUBB2B Q9BVA1 2/20 0.71

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
Chrysosplenol C SCHEMBL4742072 0.93 ABCG2 (0.73) XDHMEN1POLBMAPTKMT2A
Chrysosplenol D SCHEMBL11133546 0.93 ALOX5 (0.83) XDHMEN1POLBMAPTKMT2A
Chrysosplenol D SCHEMBL29359614 0.93 ALOX5 (0.83) XDHMEN1POLBMAPTKMT2A
SCHEMBL29024597 0.91 ALOX5 (0.76) XDHMEN1POLBMAPTKMT2A
Axillarin SCHEMBL29929648 0.88 XDH (1.00) XDHMEN1POLBMAPTKMT2A
SCHEMBL1683376 0.88 ABCB1 (0.86) XDHMEN1POLBMAPTKMT2A
Axillarin SCHEMBL29929599 0.88 XDH (1.00) XDHMEN1POLBMAPTKMT2A
Axillarin SCHEMBL1155670 0.88 XDH (1.00) XDHMEN1POLBMAPTKMT2A
SCHEMBL8656946 0.87 ALOX5 (0.75) XDHMEN1POLBMAPTKMT2A
SCHEMBL29598018 0.86 TUBB4A (0.76) XDHMEN1POLBMAPTKMT2A

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-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed