SCHEMBL9344802

SCHEMBL9344802

CCCCCCCCCCCCCCCCCC(N)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
PRSS1 P07477 2/20 0.49
CTSG P08311 2/20 0.49
CTRB1 P17538 2/20 0.49
CMA1 P23946 2/20 0.49
CSNK1E P49674 1/20 0.49
NAAA Q02083 1/20 0.49
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL28574985 1.00 CES2 (0.50) CES2CES1MMP2MMP9MMP12
Hydrochloric Acid SCHEMBL928942 0.98 MMP2 (0.49) CES2CES1MMP2MMP9MMP12
SCHEMBL27287213 0.98 CES2 (0.49) CES2CES1MMP2MMP9MMP12
Hydrochloric Acid SCHEMBL9449101 0.97 CES2 (0.47) CES2CES1MMP2MMP9MMP12
SCHEMBL6823559 0.93 CES2 (0.47) CES2CES1MMP2MMP9MMP12
SCHEMBL13116471 0.86 SLC6A2 (0.53) CES2CES1PRSS1CTSGCTRB1
SCHEMBL16553896 0.85 GSR (0.53) MMP2MMP9POLBKMT2ATDP1
SCHEMBL7533307 0.85 GSR (0.53) MMP2MMP9POLBKMT2ATDP1
SCHEMBL15580628 0.84 MMP2 (0.42) MMP2MMP9MMP12GRIK1GRIK2
SCHEMBL11137673 0.83 ALDH1A1 (0.54) MMP2MMP9MMP12ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357409-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 1994-07-20 EP disclosed
US-4994431-A Containing colorless dye precursor, color developer and 1-alkoxy-phenoxy-2-aryloxypropane sensitizer; preservation stability, high sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed
EP-0357409-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-07 EP disclosed