Sugi Predict

Sugi Predict / Compounds / SCHEMBL22751624

SCHEMBL22751624

SCHEMBL22751624

CCOC(=O)NC1CC(C)(C)CC(C)(Cn2c(=O)n(CC3(C)CCCC(C)(C)C3)c(=O)n(CC3(C)CC(NC(=O)OCC)CC(C)(C)C3)c2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL16846588 0.81 TSHR (0.49) TSHRALDH1A1
SCHEMBL18460823 0.80 TSHR (0.48) TSHRALDH1A1
SCHEMBL25083989 0.80 TSHR (0.48) TSHR
SCHEMBL25084006 0.80 TSHR (0.48) TSHR
SCHEMBL25083988 0.80 TSHR (0.48) TSHR
SCHEMBL17552989 0.78 TSHR (0.44) TSHRTDP1
SCHEMBL15362348 0.78 TSHR (0.44) TSHRTDP1
SCHEMBL18406657 0.77 TSHR (0.46) TSHRALDH1A1
SCHEMBL18406653 0.77 TSHR (0.46) TSHRALDH1A1
SCHEMBL26770190 0.77 TSHR (0.45) TSHRALDH1A1TDP1

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
US-10862164-B2 Polymer electrolyte, method of preparing the polymer electrolyte, and lithium metal battery including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-08 — — US disclosed