SCHEMBL20915439

SCHEMBL20915439

C=CC(=O)OCCc1c2ccccc2c(CCOC(=O)C=C)c2c(Oc3c(Oc4ccccc4)ccc4c(CCOC(=O)C=C)c5ccccc5c(CCOC(=O)C=C)c34)c(Oc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
HCAR2 Q8TDS4 1/20 0.35
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
RAD52 P43351 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TTR P02766 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
APP P05067 1/20 0.32
TYMS P04818 1/20 0.32
TGM2 P21980 1/20 0.32
MAOB P27338 1/20 0.32
ALOX5 P09917 2/20 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
SCHEMBL20915775 0.94 THRB (0.47) THRBAKR1B10AKR1B1RAD52ALDH1A1
SCHEMBL20915625 0.85 RAD52 (0.49) RAD52ALDH1A1HSD17B10TTRSMN1; SMN2
SCHEMBL20915683 0.83 THRB (0.43) THRBHCAR2AKR1B10AKR1B1RAD52
SCHEMBL20915512 0.81 THRB (0.42) THRBHCAR2AKR1B10AKR1B1RAD52
SCHEMBL20915481 0.80 THRB (0.47) THRBHCAR2AKR1B10AKR1B1RAD52
SCHEMBL20915520 0.79 RAD52 (0.47) RAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL20915538 0.78 TTR (0.34) TTR
SCHEMBL20915585 0.78 TTR (0.38) ALDH1A1TSHRHSD17B10TTRHTT
SCHEMBL20915336 0.76 LTA4H (0.33) TTRSMN1; SMN2
SCHEMBL20915282 0.76 HRH1 (0.33) TSHRTTR

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