SCHEMBL7103100

SCHEMBL7103100

CCCCN(CCCC)c1c(N)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
MMP2 P08253 1/20 0.45
HSD17B10 Q99714 4/20 0.43
TSHR P16473 1/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 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
SCHEMBL7101456 0.84 MMP2 (0.50) ALDH1A1KDM4EGAAMMP2HSD17B10
SCHEMBL7773541 0.79 G6PD (0.49) ALDH1A1KDM4EPOLBGAAMMP2
SCHEMBL4410630 0.79 TP53 (0.48) ALDH1A1KDM4EPOLBGAAHSD17B10
SCHEMBL10455717 0.77 MMP2 (0.57) ALDH1A1KDM4EGAAMMP2HSD17B10
SCHEMBL9292558 0.75 GAA (0.44) ALDH1A1KDM4EPOLBGAATSHR
SCHEMBL9124132 0.75 GAA (0.44) ALDH1A1KDM4EPOLBGAATSHR
Anthranilic Acid SCHEMBL27737311 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBGAAMMP2
Hydrochloric Acid SCHEMBL9124345 0.74 GAA (0.43) ALDH1A1KDM4EPOLBGAATSHR
SCHEMBL3691710 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBGAATSHR
Anthranilic Acid SCHEMBL28806867 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBGAAMMP2

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
EP-0971991-B1 INK ADDITIVES AVECIA LTD (GB) 2003-09-03 EP disclosed
US-6319309-B1 FOR INK JET PRINTING INKS TO GIVE IMAGES HAVING HIGH WATER FASTNESS AND GOOD OPTICAL DENSITY AVECIA LIMITED (GB) 2001-11-20 US disclosed
US-6254669-B1 Bleed reduction agents for ink printing inks ZENECA LIMITED (GB) 2001-07-03 US disclosed
EP-0971991-A1 INK ADDITIVES Avecia Limited (GB) 2000-01-19 EP disclosed
EP-0966451-A1 BLEED REDUCTION AGENTS FOR INK JET PRINTING INKS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998044057-A1 INK ADDITIVES AVECIA LIMITED (GB) 1998-10-08 WO disclosed
WO-1998034926-A1 BLEED REDUCTION AGENTS FOR INK JET PRINTING INKS AVECIA LIMITED (GB) 1998-08-13 WO disclosed