SCHEMBL3843229

SCHEMBL3843229

CC(C)c1cccc(-c2ccccc2)c1O.CC1=C(C)C(C)(C)C([Ti](Cl)(Cl)Oc2c(-c3ccccc3)cccc2C(C)C)=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.35
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 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
SCHEMBL618897 0.94
SCHEMBL3806063 0.76 BACE1 (0.34) TSHR
SCHEMBL3686734 0.76
SCHEMBL3681805 0.74 NUDT1 (0.32)
SCHEMBL3676430 0.74 L3MBTL1 (0.35) LMNA
SCHEMBL619043 0.71 GABRA1 (0.61) PTPN5FAAHCA1CA2LMNA
SCHEMBL3806182 0.71 PTPN5 (0.46) PTPN5FAAHCA1CA2LMNA
SCHEMBL3683551 0.70 NPC1 (0.31) LMNA
SCHEMBL3379652 0.69 ADRA2A (0.33)
SCHEMBL3811401 0.66 CCNE2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910427-B1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS SK INNOVATION CO LTD (KR) 2015-05-13 EP disclosed
US-7589042-B2 Arylphenoxy catalyst system for producing ethylene homopolymer or copolymers of ethylene and α-olefins SK CORPORATION (KR) 2009-09-15 US disclosed
US-20070135297-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND a-OLEFINS SK CORPORATION (KR) 2007-06-14 US disclosed
US-20070004586-A1 Arylphenoxy catalyst system for producing ethylene homopolymer or copolymers of ethylene and alpha-olefins SK CORPORATION (KR) 2007-01-04 US disclosed