SCHEMBL4591676

SCHEMBL4591676

C#Cc1c(CCCCC)ccc2c1C(=O)OC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.40
CTSG P08311 4/20 0.40
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CDC25A P30304 6/20 0.35
CDC25B P30305 6/20 0.35
CDC25C P30307 5/20 0.35
CTRC Q99895 1/20 0.34
KIF20B Q96Q89 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL31415561 0.84 TDP1 (0.38) ALOX5MAPTTDP1
SCHEMBL31415571 0.82 RARB (0.43) LIPGMEN1TP53CYP3A4MAPT
SCHEMBL11708641 0.78 ELANE (0.45) ELANECTSGNR1H2NR1H3CDC25A
SCHEMBL11872826 0.78 ELANE (0.45) ELANECTSGNR1H2NR1H3CDC25A
SCHEMBL28716021 0.77 ELANE (0.38) ELANECTSG
SCHEMBL28740970 0.77 ELANE (0.60) ELANECTSGMEN1TP53CYP3A4
SCHEMBL2810680 0.77 CYP1A1 (0.37) ELANECTSGNR1H2NR1H3CDC25A
SCHEMBL2363418 0.76 NR1H2 (0.48) ELANECTSGNR1H2NR1H3LIPG
SCHEMBL8920874 0.75 NR1H2 (0.50) ELANECTSGNR1H2NR1H3LIPG
SCHEMBL8340233 0.75 NR1H2 (0.50) ELANECTSGNR1H2NR1H3LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP claimed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US claimed
EP-1586569-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-10-19 EP claimed
US-20050215820-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. 2005-09-29 US claimed
US-9018401-B2 Process for producing (ethyne-1,2-diyl(bis(isobenzofuran-1,3-dione) NEXAM CHEMICAL AB (SE) 2015-04-28 US disclosed
US-20150080586-A1 PROCESS FOR PRODUCING (ETHYNE-1,2-DIYL)BIS(ISOBENZOFURAN-1,3-DIONE) NEXAM CHEMICAL AB (SE) 2015-03-19 US disclosed
WO-2013156200-A1 PROCESS FOR PRODUCING (ETHYNE-1,2-DIYL)BIS(ISOBENZOFURAN-1,3- DIONE) NEXAM CHEMICAL AB (SE) 2013-10-24 WO disclosed
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
EP-1586569-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-10-19 EP disclosed
EP-1586569-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-10-19 EP disclosed
US-20050215820-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed
US-20050215820-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed
US-5493002-A Aryl ethynyl phthalic anhydrides and polymers with terminal or pendant amines prepared with aryl ethynyl phthalic anhydrides VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-02-20 US disclosed
US-5493002-A Aryl ethynyl phthalic anhydrides and polymers with terminal or pendant amines prepared with aryl ethynyl phthalic anhydrides VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-02-20 US disclosed