Sugi Predict

Sugi Predict / Compounds / SCHEMBL28795293

SCHEMBL28795293

SCHEMBL28795293

C=CCC(=O)OCCl.CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ CASP1 P29466 1/20 0.30
▸ HTT P42858 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
SCHEMBL8844648 0.80 — —
SCHEMBL27560608 0.78 EPHX1 (0.36) ALDH1A1NPSR1LMNAEPHX1
SCHEMBL27856400 0.75 CYP1A2 (0.38) ALDH1A1NPSR1LMNAEPHX1CASP1
SCHEMBL28992198 0.73 LMNA (0.56) ALDH1A1GAANPSR1LMNACASP1
SCHEMBL27650918 0.72 ALDH1A1 (0.48) ALDH1A1GAANPSR1EPHX1CASP1
SCHEMBL17470137 0.68 CYP2C19 (0.49) ALDH1A1GAANPSR1LMNAEPHX1
SCHEMBL1593817 0.68 CYP2C19 (0.49) ALDH1A1GAANPSR1LMNAEPHX1
Chloroacetic Acid SCHEMBL1783141 0.67 TSHR (0.48) ALDH1A1LMNAEPHX1
Acrylic Acid SCHEMBL28944965 0.67 LMNA (0.48) ALDH1A1GAALMNAEPHX1HTT
Acrylic Acid SCHEMBL8441153 0.67 LMNA (0.48) ALDH1A1GAALMNAEPHX1HTT

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-102153553-A Oral administration carbapenem compound containing amino sulfonamide-azetidine SHANDONG XUANZHU PHARMACEUTICAL CO LTD OWN 2011-08-17 — — CN disclosed