SCHEMBL13630981

SCHEMBL13630981

COC(=O)/C=C/c1cc(OC[C@@H]2CO2)ccc1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
TP53 P04637 4/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FDPS P14324 1/20 0.43
BACE1 P56817 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
PKM P14618 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 5/20 0.41
APP P05067 1/20 0.41
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 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
SCHEMBL13007251 1.00 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL10460661 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL10460662 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL11434163 0.81 MGLL (0.54) ALDH1A1TP53TSHRHIF1AFDPS
SCHEMBL11434160 0.81 MGLL (0.54) ALDH1A1TP53TSHRHIF1AFDPS
SCHEMBL4865002 0.81 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL13007247 0.77 FDPS (0.52) ALDH1A1TP53FDPSBACE1L3MBTL1
SCHEMBL11393428 0.77 MAPT (0.63) ALDH1A1SMN1; SMN2BACE1JUNNFKB1
SCHEMBL11393435 0.77 MAPT (0.63) ALDH1A1SMN1; SMN2BACE1JUNNFKB1
SCHEMBL13986690 0.75 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4

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-7615325-B2 Compositions for liquid crystal display SIPIX IMAGING, INC. (US) 2009-11-10 US disclosed
US-20070098921-A1 Compositions For Liquid Crystal Display E INK CALIFORNIA, LLC 2007-05-03 US disclosed