SCHEMBL9115698

SCHEMBL9115698

C[CH]COc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
APP P05067 1/20 0.47
AGTR1 P30556 1/20 0.47
CYP1A2 P05177 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1907827 0.83 CA1 (0.52) CA1CA2CA12CA4CA7
1-Allyloxy-2-Methoxybenzene SCHEMBL73345 0.81 CA12 (0.54) CA1CA2CA12CA4CA7
1-Allyloxy-2-Methoxybenzene SCHEMBL30083991 0.81 CA12 (0.54) CA1CA2CA12CA4CA7
SCHEMBL514581 0.81 CA1 (0.54) CA1CA2CA12CA4CA7
SCHEMBL1988795 0.78 ALDH1A1 (0.48) L3MBTL1TDP1LMNACYP1A2TSHR
SCHEMBL8968814 0.78 GAA (0.59) CA1CA2SMN1; SMN2LMNAAPP
SCHEMBL28803201 0.78 CA1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL10901672 0.78 CA1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL791960 0.78 SMN1; SMN2 (0.55) CA1CA2CA12CA4CA7
SCHEMBL1987437 0.77 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1TDP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420094-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1995-05-30 US disclosed
EP-0567314-A1 Electron-accepting compounds and color recording materials containing them FUJI PHOTO FILM CO., LTD. (JP) 1993-10-27 EP disclosed