Sugi Predict

Sugi Predict / Compounds / SCHEMBL28729520

SCHEMBL28729520

SCHEMBL28729520

CCCCCCC(CCCCCC)(CCCCCC)OCOCOC(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GGPS1 O95749 6/20 0.35
▸ SMPD1 P17405 5/20 0.35
▸ FDPS P14324 9/20 0.34
▸ CES2 O00748 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR3 Q9UBY5 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
SCHEMBL16705983 0.80 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL8846370 0.80 TSHR (0.42) TSHRTHRBGGPS1SMPD1FDPS
Ether SCHEMBL7496783 0.79 SMPD1 (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL692703 0.77 — —
Bromide SCHEMBL7764541 0.76 SMPD1 (0.39) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL28633298 0.76 TSHR (0.33) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL28728148 0.76 TSHR (0.33) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL28727996 0.76 TSHR (0.33) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL7189663 0.74 TSHR (0.47) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL8470352 0.74 TSHR (0.47) TSHRTHRBGGPS1SMPD1FDPS

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
CN-114380673-A Dialkoxyalkenylalkoxymethyl ether compounds and process for producing conjugated alkadienal compounds from the same 信越化学工业株式会社 2022-04-22 — — CN disclosed