SCHEMBL6714539

SCHEMBL6714539

C=CCC(C)Cc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
TYR P14679 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A4 P31645 1/20 0.36
COPS5 Q92905 1/20 0.35
PYCR1 P32322 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34

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
SCHEMBL12942876 0.85 SLC6A2 (0.52) IDO1ACACBSLC6A4SLC6A2SLC6A3
SCHEMBL2463594 0.81 TAAR1 (0.52) ESR1ESR2SLC6A2CYP2C9
SCHEMBL13492650 0.80 IDO1 (0.38) IDO1ESR1ESR2TYRNPC1
SCHEMBL1071466 0.80 TAAR1 (0.48) SMN1; SMN2SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6660334 0.79 SMN1; SMN2 (0.38) TYRSMN1; SMN2TDP1SLC6A4SLC6A2
SCHEMBL1408586 0.78 MME (0.41) ACACBSLC6A4SLC6A2SLC6A3PTGS2
SCHEMBL10398181 0.78 IDO1 (0.36) IDO1ESR1ESR2TYRNPC1
SCHEMBL25307021 0.77 SLC6A4 (0.33) SLC6A4
SCHEMBL31414183 0.77 GRIK1 (0.47) IDO1TYRNPC1RAB9ASMN1; SMN2
SCHEMBL18570895 0.75 IDO1 (0.47) IDO1ESR1ESR2ACACBPYCR1

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-102076725-A Modified polyolefins DOW CORNING 2011-05-25 CN disclosed
CN-102076726-A Polymers modified by silanes 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