SCHEMBL8517673

SCHEMBL8517673

[CH2]C1CC(=O)N(CC=C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.37
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
CASP3 P42574 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL22215817 0.82 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL7077014 0.78 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL8517676 0.78 MAPT (0.46) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL5489461 0.77 FAAH (0.39) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL23153480 0.74 MEN1 (0.41) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL11002032 0.73 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL22215826 0.72 L3MBTL1 (0.37) ALDH1A1MAPTL3MBTL1CYP3A4POLB
SCHEMBL22215828 0.71 L3MBTL1 (0.36) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL22215807 0.70 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL288566 0.69 CYP3A4 (0.46) ALDH1A1MAPTL3MBTL1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661310-B1 Cyclo-olefincopolymers and process for their preparation TICONA GMBH (DE) 1999-07-21 EP disclosed
EP-0661308-B1 Cyclo-olefin copolymers and process for their preparation TICONA GMBH (DE) 1999-06-02 EP disclosed
US-5756623-A MOLDING MATERIALS FOR COMPRESSION MOLDING HOECHST AG (DE) 1998-05-26 US disclosed
EP-0661310-A2 Cyclo-olefincopolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed
EP-0661308-A2 Cyclo-olefin copolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed