SCHEMBL3628065

SCHEMBL3628065

C=C(C)C(=O)Nc1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.45
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
GRIK1 P39086 1/20 0.43
KDM4E B2RXH2 6/20 0.41
PTPRC P08575 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
PTPN6 P29350 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PTPRA P18433 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL5409391 0.81 TDP1 (0.55) PTPN1TDP1MEN1MAPTKMT2A
SCHEMBL17968439 0.80 AKR1C3 (0.48) PTPN1TDP1MEN1KMT2APKM
SCHEMBL9621680 0.80 ALDH1A1 (0.46) PTPN1TDP1MEN1MAPTKMT2A
SCHEMBL3044265 0.78 KDM4E (0.71) KDM4EHSD17B10ALDH1A1AKR1C3AKR1C2
SCHEMBL14339913 0.78 POLB (0.56) PTPN1TDP1MEN1MAPTKMT2A
SCHEMBL346345 0.76 DHODH (0.62) TDP1MEN1KMT2APKMKDM4E
SCHEMBL29367052 0.76 DHODH (0.62) TDP1MEN1KMT2APKMKDM4E
SCHEMBL29140026 0.76 MAPT (0.57) MEN1MAPTKMT2APKMKDM4E
Pyromellitic Acid SCHEMBL890384 0.75 ALDH1A1 (0.38) TDP1MEN1KMT2AKDM4EHSD17B10
SCHEMBL11537231 0.75 DHODH (0.60) TDP1MEN1KMT2APKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963592-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2018-05-08 US disclosed
US-20170306156-A1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION 2017-10-26 US disclosed
US-9725598-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2017-08-08 US disclosed
EP-1951819-B1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORP (US) 2010-04-14 EP disclosed
EP-1951819-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2008-08-06 EP disclosed
WO-2007053563-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION (US) 2007-05-10 WO disclosed
US-20070100023-A1 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION 2007-05-03 US disclosed