SCHEMBL3267903

SCHEMBL3267903

C=C(C)C(=O)OC.C=C(CC=C(C)C(=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
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 2/20 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
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PPARG P37231 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
SCHEMBL3268510 0.93 POLB (0.39) THRBKDM4ENPC1RAB9AALDH1A1
SCHEMBL865165 0.92 THRB (0.38) THRBKDM4ENPC1ALDH1A1MEN1
SCHEMBL3267858 0.91 THRB (0.47) THRBKDM4ENPC1RAB9AALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL10601689 0.88 ALDH1A1 (0.36) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL3129111 0.87 THRB (0.51) THRBKDM4ENPC1RAB9AALDH1A1
SCHEMBL1228085 0.86 ALDH1A1 (0.43) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL10336731 0.84 ALDH1A1 (0.41) THRBNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL1224847 0.83 TDP1 (0.44) THRBKDM4ENPC1RAB9AALDH1A1
SCHEMBL628047 0.83 THRB (0.74) THRBKDM4ENPC1RAB9AALDH1A1
SCHEMBL2097594 0.82 ALDH1A1 (0.43) NPC1RAB9AALDH1A1L3MBTL1MEN1

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
EP-2196506-A1 Ink set for inkjet recording FUJIFILM Corporation (JP) 2010-06-16 EP disclosed
US-20100144943-A1 INK SET FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-10 US disclosed