SCHEMBL3672799

SCHEMBL3672799

CCC(CC)Nc1cc(C)ccc1C1=C(C)C(C)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
CRHR1 P34998 3/20 0.32
NR3C1 P04150 3/20 0.32
NR3C2 P08235 3/20 0.32
PGR P06401 2/20 0.32
MAOB P27338 7/20 0.31
IDO1 P14902 1/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.30
METAP1 P53582 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3669349 0.78 ACHE (0.37) ACHEMAOBKDM4EALDH1A1
SCHEMBL3673876 0.75 ALDH1A1 (0.38) ACHEIDO1LMNAKDM4EALDH1A1
SCHEMBL3676906 0.63 NPC1 (0.36) ACHELMNAKDM4EALDH1A1
SCHEMBL3673127 0.63 KMT5B (0.38) CRHR1LMNAALDH1A1
SCHEMBL11351786 0.63 SMN1; SMN2 (0.47) CRHR1NR3C1NR3C2PGRIDO1
SCHEMBL11330309 0.63 TRPA1 (0.44) IDO1LMNA
SCHEMBL28042961 0.62 SRD5A1 (0.50) ACHEMAOBMAOAMETAP1
SCHEMBL78463 0.61 ACHE (0.40) ACHEMAOBALDH1A1
SCHEMBL17871630 0.56 IDO1 (0.38) CRHR1IDO1
SCHEMBL2484416 0.56 ACHE (0.73) ACHEMAOBMAOAMETAP1

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-1966223-B1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEMICAL LTD (KR) 2013-08-14 EP disclosed
US-7807762-B2 Catalyst composition comprising Group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEM, LTD. (KR) 2010-10-05 US disclosed
US-20090005525-A1 Catalyst Composition Comprising Group 4 Transition Metal Complexes and Method for Preparing Polyolefins Using the Same LG CHEM , LTD. (KR) 2009-01-01 US disclosed
EP-1966223-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG Chem. Ltd. (KR) 2008-09-10 EP disclosed
WO-2007078133-A1 CATALYST COMPOSITION COMPRISING GROUP 4 TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING POLYOLEFINS USING THE SAME LG CHEM. LTD. (KR) 2007-07-12 WO disclosed