SCHEMBL20915775

SCHEMBL20915775

C=CC(=O)OCCCc1c2ccccc2c(CCCOC(=O)C=C)c2c(Oc3c(Oc4ccccc4)ccc4c(CCCOC(=O)C=C)c5ccccc5c(CCCOC(=O)C=C)c34)c(Oc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
MCL1 Q07820 5/20 0.36
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
RAD52 P43351 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYMS P04818 1/20 0.31
TGM2 P21980 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
ALOX5 P09917 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
SCHEMBL20915439 0.94 THRB (0.49) THRBTSHRALDH1A1RAD52TP53
SCHEMBL20915520 0.86 RAD52 (0.47) MCL1ALDH1A1RAD52HPGDSMN1; SMN2
SCHEMBL20915637 0.84 THRB (0.41) THRBMCL1TSHRALDH1A1CYP3A4
SCHEMBL20915614 0.82 THRB (0.41) THRBTSHRALDH1A1CYP3A4RAD52
SCHEMBL20915773 0.81 THRB (0.45) THRBMCL1TSHRALDH1A1CYP3A4
SCHEMBL20915636 0.79 MCL1 (0.34) MCL1ALDH1A1EGLN1
SCHEMBL20915653 0.79 RHEB (0.38) MCL1ALDH1A1HPGD
SCHEMBL20915625 0.79 RAD52 (0.49) MCL1ALDH1A1RAD52HPGDHSD17B10
SCHEMBL20915399 0.77 LTA4H (0.40) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL20915526 0.77 TTR (0.34) MCL1CYP3A4

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