SCHEMBL9655482

SCHEMBL9655482

Cc1cccc(C(C)OC(=O)c2cc(-c3ccccc3)ccc2OC(C)c2cccc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
RORC P51449 2/20 0.38
SLC6A9 P48067 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ACP3 P15309 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36

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
SCHEMBL6265906 0.85 KCNK3 (0.44) ALDH1A1TP53HSD17B10RORCMAPT
SCHEMBL10698079 0.79 LTB4R (0.53) PPARGPPARARXRARXRBRXRG
SCHEMBL8428203 0.77 POLB (0.47) ALDH1A1HSD17B10RORCPOLBMAPT
SCHEMBL21713283 0.75 ALDH1A1 (0.46) ALDH1A1TP53HSD17B10POLBACP3
SCHEMBL8425437 0.74 LTB4R (0.44) ALDH1A1RORCPOLBMAPTACP3
SCHEMBL1572225 0.74 ALDH1A1 (0.50) ALDH1A1TP53HSD17B10RORCMAPT
SCHEMBL29222842 0.74 MAPT (0.52) EPHX1ALDH1A1PDCD1CD274POLB
SCHEMBL4617281 0.72 AKR1C2 (0.51) PPARGPPARAALDH1A1RXRARXRB
SCHEMBL10591294 0.72 LTB4R (0.54) ALDH1A1RORCLTB4RLTB4R2
SCHEMBL21547360 0.70 ACMSD (0.47) ALDH1A1TP53HSD17B10RXRARXRB

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-0244219-B1 TEMPERATURE HISTORY INDICATOR AND ITS MANUFACTURE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-21 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
EP-0244219-A2 Temperature history indicator and its manufacture MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed