SCHEMBL8654580

SCHEMBL8654580

CC(C)COC(=O)Nc1cccc(O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
MAOB P27338 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.45
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL8652584 0.88 PLK1 (0.43) HTTLMNAALDH1A1TSHRPLK1
SCHEMBL10489684 0.87 HTT (0.59) HTTMAOBLMNAALDH1A1TSHR
SCHEMBL8657531 0.85 ALDH1A1 (0.56) LMNAALDH1A1TSHRPLK1PLK3
SCHEMBL9146196 0.84 PLK1 (0.45) HTTLMNAALDH1A1PLK1PLK3
SCHEMBL8655078 0.83 PLK1 (0.51) LMNAALDH1A1PLK1PLK3CA12
SCHEMBL8652685 0.82 CA12 (0.56) MAOBPLK1PLK3ALOX15CA12
SCHEMBL8656262 0.82 ALDH1A1 (0.51) HTTMAOBLMNAALDH1A1TSHR
SCHEMBL8655706 0.82 CA12 (0.53) HTTLMNAALDH1A1PLK1PLK3
SCHEMBL8652532 0.81 LMNA (0.54) HTTLMNAALDH1A1TSHRPLK1
SCHEMBL8653008 0.81 SMN1; SMN2 (0.56) LMNAALDH1A1TSHRPLK1PLK3

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-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
US-5466655-A STORAGE STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1995-11-14 US disclosed
EP-0630758-A2 Heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1994-12-28 EP disclosed