SCHEMBL20915481

SCHEMBL20915481

C=CC(=O)OCCc1c2ccccc2c(CCOC(=O)C=C)c2c(Oc3cccc4c(CCOC(=O)C=C)c5ccccc5c(CCOC(=O)C=C)c34)cccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.47
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAD52 P43351 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
TYMS P04818 1/20 0.36
AKR1B10 O60218 3/20 0.36
AKR1B1 P15121 3/20 0.36
CYP3A4 P08684 1/20 0.36
THRA P10827 1/20 0.35
ALOX5 P09917 2/20 0.34
HPGD P15428 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL20915773 0.92 THRB (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20915654 0.82 RAD52 (0.57) THRBALDH1A1RAD52HPGDKDM4E
SCHEMBL20915683 0.80 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20915439 0.80 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6837942 0.76 THRB (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9819115 0.76 THRB (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20915370 0.75 RAD52 (0.54) RAD52
SCHEMBL20915433 0.74 KDM1A (0.34) TSHRALDH1A1RAD52HPGDKDM4E
SCHEMBL10871198 0.74 THRB (0.61) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20915659 0.74 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10HPGDKDM4E

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-11149103-B2 Photopolymerization sensitizer composition and photopolymerizable composition comprising the same KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-10-19 US disclosed
US-20190119426-A1 PHOTOPOLYMERIZATION SENSITIZER COMPOSITION AND PHOTOPOLYMERIZABLE COMPOSITION COMPRISING THE SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2019-04-25 US disclosed