SCHEMBL6714536

SCHEMBL6714536

CC(C)CC=Cc1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.53
GRIK2 Q13002 1/20 0.53
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
TYR P14679 1/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2A P28223 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
IDO1 P14902 2/20 0.39
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6714532 1.00 GRIK1 (0.53) GRIK1GRIK2KDM4EMAPK1TYR
SCHEMBL28564771 0.83 GRIK1 (0.49) GRIK1GRIK2PTGS1PTGS2HTR2A
SCHEMBL11027746 0.81 GRIK1 (0.49) GRIK1GRIK2PTGS1PTGS2HTR2A
SCHEMBL10834066 0.81 GRIK1 (0.45) GRIK1GRIK2KDM4EMAPK1TYR
SCHEMBL10834068 0.81 GRIK1 (0.45) GRIK1GRIK2KDM4EMAPK1TYR
SCHEMBL31414183 0.80 GRIK1 (0.47) GRIK1GRIK2KDM4EMAPK1TYR
SCHEMBL23918549 0.79 TYR (0.64) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL30075786 0.79 TYR (0.64) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL3595592 0.79 KDM4E (0.48) GRIK1GRIK2KDM4EMAPK1TYR
SCHEMBL11584024 0.79 KDM4E (0.48) GRIK1GRIK2KDM4EMAPK1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040195550-A1 Composition comprising a nitroxide, a promoter and optionally a free-radical initiator ATOFINA 2004-10-07 US claimed
CN-113747954-A Tire for a wheel of a hand-portable vehicle 米其林集团总公司 2021-12-03 CN disclosed
CN-110997812-A Polyamide blends 美国陶氏有机硅公司 2020-04-10 CN disclosed
CN-110799586-A Rubber composition and sealing material for fuel cell separator NOK株式会社 2020-02-14 CN disclosed
CN-102076725-B Modified polyolefins DOW CORNING 2013-08-21 CN disclosed
CN-102725346-A Organopolysiloxanes containing unsaturated groups DOW CORNING 2012-10-10 CN disclosed
CN-102712707-A Polyolefins modified by silicones DOW CORNING 2012-10-03 CN disclosed
CN-102300886-A Fluorine-containing elastic copolymer, process for the production thereof, and crosslinked rubber articles 2011-12-28 CN disclosed
CN-102076726-A Polymers modified by silanes DOW CORNING 2011-05-25 CN disclosed
CN-102076725-A Modified polyolefins DOW CORNING 2011-05-25 CN disclosed
CN-1944521-B Perfluoroelastomer composition and perfluoro rubber molded article ASAHI GLASS CO LTD 2011-02-02 CN disclosed
CN-101426851-A Fluorine-containing elastomer composition and fluorine-containing rubber molded article ASAHI GLASS CO LTD (JP) 2009-05-06 CN disclosed
CN-1944521-A Perfluoroelastomer composition and perfluoro rubber molded article ASAHI GLASS CO LTD (JP) 2007-04-11 CN disclosed