SCHEMBL5698289

SCHEMBL5698289

C=c1cccc2c1=CC(C1(O)CCc3ccccc31)=C2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL7652059 0.68 MAOB (0.37) HCAR2KDM1AMAOBHDAC9
SCHEMBL5796055 0.66 HDAC9 (0.50) HCAR2KDM1AMAOBHDAC9
SCHEMBL3053835 0.66 KDM1A (0.43) HCAR2KDM1AMAOBHDAC9
SCHEMBL19130584 0.66 HDAC9 (0.50) HCAR2KDM1AMAOBHDAC9
SCHEMBL19130585 0.63 KDM1A (0.41) KDM1AMAOBHDAC9
SCHEMBL6289733 0.63 KDM1A (0.41) KDM1AMAOBHDAC9
SCHEMBL6285519 0.63 HDAC4 (0.44) KDM1AMAOBHDAC9
SCHEMBL7885283 0.62 BRD4 (0.40) KDM1AMAOBHDAC9
SCHEMBL5871752 0.61 CYP3A4 (0.57) KDM1AMAOBHDAC9
SCHEMBL1535911 0.61 KDM1A (0.48) HCAR2KDM1AMAOBHDAC9

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-1250342-B1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS POLIMERI EUROPA SPA (IT) 2006-06-28 EP disclosed
US-6984703-B1 Bridged metallocene compounds as olefin-polymerization catalysts POLIMERI EUROPA S.P.A. (IT) 2006-01-10 US disclosed