SCHEMBL21869041

SCHEMBL21869041

C=C(C)C(=C)OCCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC(COC(=O)C(=C)C)N=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 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
SCHEMBL19316669 0.87 TSHR (0.40) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL15713250 0.80 TSHR (0.53) TSHRALDH1A1TP53SCN1ASCN2A
SCHEMBL16193204 0.78 TSHR (0.47) TSHRALDH1A1TP53MAPTMEN1
SCHEMBL22058363 0.76 TSHR (0.45) TSHRALDH1A1TP53SCN1ASCN2A
SCHEMBL2597547 0.76 TSHR (0.47) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL12181907 0.76 TSHR (0.51) TSHRALDH1A1TP53KMT2AATM
SCHEMBL21386597 0.74 TSHR (0.34) TSHRALDH1A1TP53SCN1ASCN2A
SCHEMBL129437 0.73 TSHR (0.62) TSHRALDH1A1TP53TDP1L3MBTL1
SCHEMBL6285566 0.73 SCN1A (0.59) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL18949239 0.73 TSHR (0.46) TSHRALDH1A1TP53MAPTMEN1

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-3187515-B1 POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORP (JP) 2020-03-18 — — EP disclosed
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