Sugi Predict

Sugi Predict / Compounds / SCHEMBL6258683

SCHEMBL6258683

SCHEMBL6258683

CCC(C)(C)CCOCCCOCCC(C)(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL6899166 0.92 TSHR (0.40) TSHRMEN1THRBHTTKMT2A
SCHEMBL6255557 0.92 TSHR (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL6259336 0.90 MEN1 (0.39) TSHRMEN1THRBHTTKMT2A
SCHEMBL31544460 0.88 MEN1 (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL6255394 0.83 TSHR (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL6261546 0.81 MEN1 (0.40) TSHRMEN1THRBHTTKMT2A
SCHEMBL27826090 0.80 TSHR (0.31) TSHR
SCHEMBL9750693 0.80 TSHR (0.33) TSHRALDH1A1
SCHEMBL3037397 0.79 MEN1 (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL27805488 0.79 TSHR (0.46) TSHRMEN1THRBHTTKMT2A

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
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 — — WO claimed