SCHEMBL3129111

SCHEMBL3129111

C=C(C)C(=O)OC.C=C(CC=CC(=O)O)C(=O)OCc1ccccc1.C=CC(=O)OCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
HCAR2 Q8TDS4 2/20 0.37
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTNR1A P48039 1/20 0.32

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
SCHEMBL1525683 0.93 THRB (0.55) THRBHCAR2MAPTL3MBTL1ALDH1A1
SCHEMBL472824 0.88 THRB (0.62) THRBHCAR2MAPTL3MBTL1ALDH1A1
SCHEMBL3267903 0.87 THRB (0.51) THRBMAPTL3MBTL1ALDH1A1RAB9A
Methacrylic Acid SCHEMBL9818350 0.84 HCAR2 (0.44) HCAR2L3MBTL1ALDH1A1RAB9ANPC1
Styrene SCHEMBL15510530 0.84 THRB (0.56) THRBHCAR2MAPTL3MBTL1ALDH1A1
SCHEMBL472856 0.83 HCAR2 (0.51) THRBHCAR2L3MBTL1ALDH1A1RAB9A
SCHEMBL628047 0.83 THRB (0.74) THRBMAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL9471836 0.82 HCAR2 (0.46) HCAR2L3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL1228125 0.82 HCAR2 (0.40) HCAR2ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3268510 0.79 POLB (0.39) THRBMAPTL3MBTL1ALDH1A1RAB9A

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-8664296-B2 Ink set for ink jet recording and ink jet recording method FUJIFILM CORPORATION (JP) 2014-03-04 US disclosed
US-20100003408-A1 INK SET FOR INK JET RECORDING AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-07 US disclosed