SCHEMBL11065495

SCHEMBL11065495

CCc1cc(C(=O)OC)cc(C)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 5/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43

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
SCHEMBL11672950 0.89 KDM4E (0.50) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL21711899 0.87 PPARA (0.44) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL1739400 0.85 CA1 (0.54) PPARAALDH1A1KDM4ECA12CA1
SCHEMBL21711828 0.83 CA12 (0.42) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL24526817 0.81 KDM4E (0.46) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL10091823 0.81 KDM4E (0.53) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL27898473 0.80 LMNA (0.62) PPARAALDH1A1KDM4ECA12CA1
SCHEMBL29136490 0.80 CA1 (0.52) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL24425750 0.79 KMT2A (0.54) PPARAALDH1A1KDM4ECA12CA1
SCHEMBL10323334 0.78 GAA (0.40) PPARAPPARGALDH1A1KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 US disclosed