SCHEMBL6002004

SCHEMBL6002004

O=Cc1cc(Cl)cc(O)c1O.O=Cc1cc(Cl)cc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.50
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KDM4E B2RXH2 1/20 0.35
PIM1 P11309 1/20 0.33

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
SCHEMBL1748466 0.88 ERN1 (0.44) ERN1MEN1PLA2G1BPOLBGAA
SCHEMBL30933917 0.88 ERN1 (0.44) ERN1MEN1PLA2G1BPOLBGAA
SCHEMBL456670 0.79 ERN1 (0.78) ERN1PIM1
SCHEMBL30689082 0.79 ERN1 (0.78) ERN1PIM1
SCHEMBL1748269 0.75 ERN1 (0.44) ERN1MAPTKMT2A
SCHEMBL30902339 0.75 ERN1 (0.44) ERN1MAPTKMT2A
SCHEMBL5318653 0.72 POLB (0.36) MEN1PLA2G1BPOLBGAAMAPT
SCHEMBL6093685 0.70 ERN1 (1.00) ERN1PIM1
SCHEMBL29914868 0.68 ERN1 (0.40) ERN1MEN1POLBGAAMAPT
SCHEMBL22297792 0.68 ERN1 (0.40) ERN1MEN1POLBGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed