SCHEMBL16622193

SCHEMBL16622193

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.45
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14149368 0.83
SCHEMBL17695486 0.81 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18099385 0.81 HCAR2 (0.50)
SCHEMBL18099376 0.81 ATM (0.37)
SCHEMBL19598231 0.81 ALDH1A1 (0.34) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19393428 0.80 TSHR (0.34) TSHRALDH1A1HPGDCYP3A4
SCHEMBL22916252 0.80 ALDH1A1 (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL24163258 0.79 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19598413 0.79 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL17166289 0.79 TSHR (0.35) TSHR

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-2105793-B1 Green curable composition, color filter and method of producing same FUJIFILM CORP (JP) 2016-05-18 EP disclosed
US-8999436-B2 Optical functional film, antireflection film, polarizing plate and image display device FUJIFILM CORPORATION (JP) 2015-04-07 US disclosed