SCHEMBL22064159

SCHEMBL22064159

C=CC(=O)OCCCCCn1c(=O)n(CCCOC(=O)C=C)c(=O)n(CCCOC(=O)C=C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.63
ALDH1A1 P00352 4/20 0.63
CYP3A4 P08684 3/20 0.63
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.33
HCAR2 Q8TDS4 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 3/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22063940 0.98 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16694127 0.98 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16694109 0.98 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1069067 0.97 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5269389 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23810921 0.91 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22064163 0.87 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29061665 0.86 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL42549 0.84 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27209147 0.84 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319511-B2 Compositions comprising encapsulates THE PROCTER & GAMBLE COMPANY (US) 2022-05-03 US disclosed
US-20200181543-A1 COMPOSITIONS COMPRISING ENCAPSULATES THE PROCTER & GAMBLE COMPANY 2020-06-11 US disclosed
EP-3662974-A1 COMPOSITIONS COMPRISING ENCAPSULATES The Procter & Gamble Company (US) 2020-06-10 EP disclosed