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SCHEMBL21115825

SCHEMBL21115825

C=CC(=O)OCCCNC(=O)OCC1(C)CC2CC(C1)C1CC(C)(COC(=O)NCCCOC)CCC21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.34
▸ TSHR P16473 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP3A4 P08684 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21115862 0.96 TSHR (0.33) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL21115866 0.93 TSHR (0.35) TSHRHPGDMEN1KMT2AL3MBTL1
SCHEMBL21115870 0.93 TSHR (0.36) EPHX2TSHRHPGDMEN1KMT2A
SCHEMBL21115863 0.90 — —
SCHEMBL21115957 0.90 MEN1 (0.39) EPHX2TSHRHPGDMEN1KMT2A
SCHEMBL21115869 0.88 ALDH1A1 (0.33) TSHRCYP3A4ALDH1A1
SCHEMBL21115818 0.88 TSHR (0.30) TSHRCYP3A4ALDH1A1
SCHEMBL21115821 0.87 TSHR (0.32) TSHRCYP3A4ALDH1A1
SCHEMBL21115847 0.83 MEN1 (0.33) TSHRMEN1KMT2AL3MBTL1
SCHEMBL20959943 0.82 CYP19A1 (0.33) TSHRHPGDCYP3A4ALDH1A1SMN1; SMN2

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-2741728-B1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2019-06-26 — — EP disclosed