SCHEMBL9627792

SCHEMBL9627792

O=C1C=C(C(=O)OC2CCCCC2)C(=O)C=C1C(=O)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.49
MMP12 P39900 3/20 0.49
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.44
STS P08842 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8685407 0.80 MMP9 (0.47) MMP9MMP12MMP1MMP2STS
SCHEMBL828645 0.75 NPC1 (0.54) MMP9MMP12MMP1MMP2STS
SCHEMBL6577408 0.74 SERPINE1 (0.60) MMP9MMP12MMP1MMP2STS
SCHEMBL110657 0.74 SMN1; SMN2 (0.68) MMP9MMP12MMP1MMP2STS
SCHEMBL27647433 0.72 SMN1; SMN2 (0.66) MMP9MMP12MMP1MMP2STS
SCHEMBL27668237 0.72 SMN1; SMN2 (0.66) MMP9MMP12MMP1MMP2STS
SCHEMBL27647429 0.72 SMN1; SMN2 (0.66) MMP9MMP12MMP1MMP2STS
SCHEMBL27647587 0.72 SMN1; SMN2 (0.66) MMP9MMP12MMP1MMP2STS
SCHEMBL27647562 0.72 SMN1; SMN2 (0.66) MMP9MMP12MMP1MMP2STS
SCHEMBL27667920 0.72 SMN1; SMN2 (0.66) MMP9MMP12MMP1MMP2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244219-B1 TEMPERATURE HISTORY INDICATOR AND ITS MANUFACTURE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-21 EP disclosed
EP-0156912-B1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-13 EP disclosed
US-4931420-A COLOR CHANGING LABELS, CHIPS FOR STORED FOODS, MEDICINES, BLOOD; RUPTURABLE CAPSULES CONTAINING DYE AND DEVELOPER MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-05 US disclosed
US-4735744-A OXIDATION OF CORRESPONDING HYDROQUINONES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-04-05 US disclosed
EP-0164260-B1 NOVEL BENZOQUINONE DERIVATIVES AND THEIR USE AS COLOR-DEVELOPERS IN RECORDING MATERIAL, PROCESS FOR THEIR PRODUCTION AND THE PRODUCTION OF CORRESPONDING HYDROQUINONES MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-09 EP disclosed
US-4729671-A FOR FROZEN FOODS AND DRUGS, METHANE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-08 US disclosed
EP-0244219-A2 Temperature history indicator and its manufacture MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed
EP-0164260-A1 Novel benzoquinone derivatives and their use as color-developers in recording material, process for their production and the production of corresponding hydroquinones MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-11 EP disclosed
EP-0156912-A1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-10-09 EP disclosed