SCHEMBL3894782

SCHEMBL3894782

[C-]#[N+]C(C)Cc1cccc(C=C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.36
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL5033169 0.82 TP53 (0.48) TP53TDP1PTGS2PNMTTAAR1
SCHEMBL6550988 0.82 PNMT (0.34) PNMTTAAR1HTR2AHTR2CHTR2B
SCHEMBL6550990 0.82 PNMT (0.34) PNMTTAAR1HTR2AHTR2CHTR2B
SCHEMBL29668408 0.82 PNMT (0.44) PNMTTAAR1HTR2AHTR2CHTR2B
SCHEMBL19215205 0.81 TP53 (0.47) TP53TDP1PTGS2PNMTTAAR1
SCHEMBL5031554 0.79 TP53 (0.46) TP53TDP1PTGS2PNMTTAAR1
SCHEMBL3671900 0.79 TP53 (0.46) TP53TDP1PTGS2PNMTTAAR1
SCHEMBL5034592 0.78 TP53 (0.44) TP53TDP1PTGS2PNMTTAAR1
SCHEMBL5031509 0.76 TP53 (0.46) TP53TDP1PTGS2PNMTTAAR1
SCHEMBL5036750 0.75 TP53 (0.42) TP53TDP1PTGS2PNMTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986667-B1 SURFACE TREATMENT MICELL INTEGRATED SYSTEMS INC (US) 2009-01-07 EP disclosed
US-20020025384-A1 Contacting a surface of a substrate, with a pressurized fluid containing carbon dioxide and a surface treatment component entrained in the fluid, which lowers the surface tension of the surface and treats the surface MICELL SPV I LLC 2002-02-28 US disclosed
US-6344243-B1 CONTACTING A SURFACE OF A SUBSTRATE, WITH A PRESSURIZED FLUID CONTAINING CARBON DIOXIDE AND A SURFACE TREATMENT COMPONENT ENTRAINED IN THE FLUID, WHICH LOWERS THE SURFACE TENSION OF THE SURFACE AND TREATS THE SURFACE MICELL TECHNOLOGIES, INC. 2002-02-05 US disclosed
US-6270844-B2 Immersing surface of substrate with a pressurized liquid or supercritical fluid comprising carbon dioxide and a surface treatment component, said surface treatment component being entrained in pressurized fluid MICELL TECHNOLOGIES, INC. 2001-08-07 US disclosed
US-20010003604-A1 Method of impregnating a porous polymer substrate MICELL SPV I LLC 2001-06-14 US disclosed
US-6200637-B1 SURFACE TREATMENT; IMMERSION IN SUPER CRITICAL SOLUTION OF CARBON DIOXIDE MICELL TECHNOLOGIES, INC. 2001-03-13 US disclosed
US-6187383-B1 IMMERSING SUBSTRATE IN PRESSURIZED FLUID CONTAINING CARBON DIOXIDE AND SURFACE TREATMENT COMPONENT; DEPOSITING SURFACE TREATMENT COMPONENT ON SUBSTRATE; SEPARATING CARBON DIOXIDE FROM SO THAT SURFACE TREATMENT REMAINS DEPOSITED ON FABRIC MICELL TECHNOLOGIES 2001-02-13 US disclosed
US-6165559-A Method of coating a solid substrate MICELL TECHNOLOGIES, INC. (US) 2000-12-26 US disclosed
US-6165560-A Surface treatment MICELL TECHNOLOGIES (US) 2000-12-26 US disclosed
EP-0986667-A1 SURFACE TREATMENT Micell Technologies (US) 2000-03-22 EP disclosed
US-6030663-A Surface treatment MICELL TECHNOLOGIES, INC. (US) 2000-02-29 US disclosed
WO-1998054397-A1 SURFACE TREATMENT MICELL TECHNOLOGIES (US) 1998-12-03 WO disclosed