SCHEMBL10030197

SCHEMBL10030197

CC(=O)OCOc1ccc(OCOC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.45
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP10 Q53GL7 1/20 0.41
MAOB P27338 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NQO1 P15559 1/20 0.40
THRB P10828 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
SCHEMBL14242751 0.92 LMNA (0.55) ALDH1A1L3MBTL1GAALMNATDP1
SCHEMBL12818123 0.90 MAOB (0.51) ALDH1A1GAALMNAMAPTMEN1
SCHEMBL28821681 0.90 TDP1 (0.50) ALDH1A1L3MBTL1GAALMNATDP1
SCHEMBL896992 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNATDP1MAPT
SCHEMBL5960010 0.88 RXRA (0.51) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL14314075 0.87 RXRA (0.50) ALDH1A1L3MBTL1MAPTPOLBMEN1
SCHEMBL8668866 0.87 MAPT (0.54) ALDH1A1GAALMNAMAPTCYP1A2
SCHEMBL13503147 0.87 BACE1 (0.47) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL9671299 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1GAALMNATDP1
SCHEMBL19294788 0.85 CHRNB2 (0.45) ALDH1A1L3MBTL1GAALMNAMAPT

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-8277696-B2 Thermochromic color-memory composition, and thermochromic color-memory microcapsule pigment having the composition encapsulated therein THE PILOT INK CO., LTD. (JP) 2012-10-02 US disclosed
US-20120049139-A1 THERMOCHROMIC COLOR-MEMORY COMPOSITION, AND THERMOCHROMIC COLOR-MEMORY MICROCAPSULE PIGMENT HAVING THE COMPOSITION ENCAPSULATED THEREIN THE PILOT INK CO., LTD. (JP) 2012-03-01 US disclosed