SCHEMBL1896984

SCHEMBL1896984

O=Cc1cccc2c1OCCC=C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 2/20 0.32
CYP2B6 P20813 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL2557254 0.82 CYP2B6 (0.43) CA1CA9MEN1LMNATHRB
SCHEMBL29519680 0.82 CYP2B6 (0.43) CA1CA9MEN1LMNATHRB
Hydrochloric Acid SCHEMBL30405223 0.81 CYP2B6 (0.43) CA1CA9MEN1LMNATHRB
SCHEMBL4403285 0.71 MEN1 (0.38) CA1MEN1LMNATHRBBLM
SCHEMBL1012582 0.70 KDM4E (0.61) MEN1LMNATHRBBLMKMT2A
SCHEMBL6851157 0.68 TDP1 (0.46) MEN1LMNATHRBBLMKMT2A
SCHEMBL2859416 0.67 MEN1 (0.41) CA1MEN1LMNATHRBBLM
SCHEMBL29561776 0.67 MEN1 (0.41) CA1MEN1LMNATHRBBLM
SCHEMBL1253612 0.67 KDM4E (0.53) MEN1LMNATHRBBLMKMT2A
SCHEMBL734868 0.67 PARP1 (0.53) MEN1LMNATHRBBLMKMT2A

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-2322505-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME Kowa Company, Ltd. (JP) 2011-05-18 EP disclosed