SCHEMBL20344268

SCHEMBL20344268

C=CC(=O)OCCC(C)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 2/20 0.50
THRB P10828 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2741578 0.90 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15479143 0.88 THRB (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL39919 0.86 ALDH1A1 (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23494202 0.85 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29524745 0.85 LMNA (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8965918 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL335609 0.83 THRB (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1015244 0.82 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8966168 0.82 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29619627 0.81 TSHR (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1657286-B1 Radiation curable ink jet ink, comprising a polymerisation initiation sensitising dye FUJIFILM CORP (JP) 2018-07-04 EP disclosed