SCHEMBL10124387

SCHEMBL10124387

CC(C)C(C)(C)C(=O)OCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
ALDH1A1 P00352 10/20 0.49
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 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
SCHEMBL13478290 0.86 TSHR (0.49) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL22509953 0.84 ALDH1A1 (0.47) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL19407216 0.83 ALDH1A1 (0.49) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL751954 0.81 ALDH1A1 (0.54) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3302489 0.81 ALDH1A1 (0.69) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL22926492 0.80 TSHR (0.51) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL28492073 0.79 ALDH1A1 (0.67) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL5321850 0.79 HCAR2 (0.47) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL11938275 0.79 ALDH1A1 (0.51) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL10287558 0.78 TSHR (0.49) TSHRALDH1A1TDP1L3MBTL1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420871-A1 POLYMERIZABLE COMPOSITION FOR COLOR FILTER, COLOR FILTER, AND SOLID IMAGING ELEMENT FUJIFILM Corporation (JP) 2012-02-22 EP disclosed