Sugi Predict

Sugi Predict / Compounds / SCHEMBL17265372

SCHEMBL17265372

SCHEMBL17265372

CCCCCCCCCCCCCCCCCCCCCCCCCCC1COC(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ PPARG P37231 2/20 0.48
▸ EPHX1 P07099 1/20 0.46
▸ GRM2 Q14416 10/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL5598322 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL8518471 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL9576975 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL19283429 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL13058166 1.00 CYP1A2 (0.54) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL2272354 0.98 CYP1A2 (0.51) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL29065659 0.93 CYP1A2 (0.49) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL2344886 0.92 CYP1A2 (0.44) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL14539537 0.92 CYP1A2 (0.44) CYP1A2ALDH1A1PPARGEPHX1GRM2
SCHEMBL17227787 0.90 CYP1A2 (0.40) CYP1A2ALDH1A1PPARGEPHX1GRM2

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-20150329666-A1 HYDROCARBON POLYMERS COMPRISING A 2-OXO-1,3-DIOXOLAN-4-YL END GROUP, PREPARATION AND USE THEREOF BOSTIK SA (FR) 2015-11-19 — — US disclosed