SCHEMBL7699645

SCHEMBL7699645

Cc1ccc2c(c1C)CC(C)C2=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.62
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PAX8 Q06710 1/20 0.41
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
POLL Q9UGP5 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
SCHEMBL30834280 1.00 ACHE (0.62) ACHETDP2NSD2HSP90AA1PAX8
SCHEMBL5952726 0.81 ACHE (0.59) ACHETDP2NSD2HSP90AA1PAX8
SCHEMBL1454366 0.81 ACHE (0.59) ACHETDP2NSD2HSP90AA1PAX8
SCHEMBL5952702 0.79 ACHE (0.75) ACHEMAOAMAOBCSNK2A2CSNK2A1
SCHEMBL8990219 0.77 ACHE (0.53) ACHEMAOAMAOB
SCHEMBL30666460 0.77 ACHE (1.00) ACHEMAOAMAOB
SCHEMBL6936179 0.77 ACHE (1.00) ACHEMAOAMAOB
SCHEMBL5952162 0.76 ACHE (0.57) ACHEMAOAMAOBHSD17B10
SCHEMBL5952017 0.76 ACHE (0.53) ACHEMAOAMAOBKDM4EMEN1
SCHEMBL5952137 0.75 ACHE (0.64) ACHEMAOAMAOBKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245185-A1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS Firmenich SA (CH) 2017-11-22 EP disclosed
CN-107108445-A Midbody compound for producing perfuming component 弗门尼舍有限公司 2017-08-29 CN disclosed
WO-2016113151-A1 INTERMEDIATE COMPOUNDS FOR PRODUCING PERFUMING INGREDIENTS FIRMENICH SA (CH) 2016-07-21 WO disclosed
US-RE37573-E1 Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands BASELL POLYOLEFIN GMBH (DE) 2002-03-05 US disclosed
US-5869584-A Process for the preparation of an olefin polymer using metallocenes containing specifically substituted indenyl ligands TARGOR GMBH (DE) 1999-02-09 US disclosed
EP-0582194-B1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands TARGOR GMBH (DE) 1998-05-06 EP disclosed
US-5455365-A Metallocene compound containing substituted indenyl ligand and transition metal element from groups IVb, Vb, or VIb; addition polymerization with aluminoxane cocatalyst HOECHST AG (DE) 1995-10-03 US disclosed
EP-0582194-A1 Process for the preparation of polymers using metallocenes with specifically substituted indenyl ligands HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-09 EP disclosed