SCHEMBL3843282

SCHEMBL3843282

C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1COC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 3/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL948915 0.96 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3851654 0.94 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3844897 0.94 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL26363010 0.85 TDP1 (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21244246 0.80 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31115299 0.79 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9416608 0.77 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11350191 0.77 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL251363 0.75 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11692449 0.75 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4

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-20090148706-A1 OPTICAL WAVEGUIDE HAVING PERFLUOROADAMANTANE STRUCTURE OMRON CORPORATION (JP) 2009-06-11 US disclosed
EP-2015113-A1 OPTICAL WAVEGUIDE HAVING PERFLUOROADAMANTANE STRUCTURE Omron Corporation (JP) 2009-01-14 EP disclosed