Sugi Predict

Sugi Predict / Compounds / SCHEMBL21115870

SCHEMBL21115870

SCHEMBL21115870

C=CC(=O)OCCCCCNC(=O)OCC1(C)CC2CC(C1)C1CC(C)(COC(=O)NCCCCCOC(=O)C=C)CCC21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ACHE P22303 12/20 0.33
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EPHX2 P34913 5/20 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
SCHEMBL21115866 0.99 TSHR (0.35) TSHRALDH1A1CYP3A4ACHEHPGD
SCHEMBL21115862 0.96 TSHR (0.33) TSHRALDH1A1CYP3A4HPGDMEN1
SCHEMBL21115869 0.95 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4ACHE
SCHEMBL21115957 0.95 MEN1 (0.39) TSHRALDH1A1CYP3A4ACHEHPGD
SCHEMBL21115821 0.94 TSHR (0.32) TSHRALDH1A1CYP3A4
SCHEMBL21115818 0.93 TSHR (0.30) TSHRALDH1A1CYP3A4
SCHEMBL21115825 0.93 EPHX2 (0.34) TSHRALDH1A1CYP3A4HPGDMEN1
SCHEMBL21115863 0.90 — —
SCHEMBL21115852 0.86 TSHR (0.36) TSHRACHEMEN1KMT2AL3MBTL1
SCHEMBL21115827 0.85 TSHR (0.34) TSHRACHEMEN1KMT2AL3MBTL1

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