Sugi Predict

Sugi Predict / Compounds / SCHEMBL10037591

SCHEMBL10037591

SCHEMBL10037591

CC(C)CCCOC(C)(C)CCO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 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
SCHEMBL19223704 0.90 CYP4F2 (0.33) MEN1CYP3A4ALOX15KMT2A
SCHEMBL15886749 0.88 CA12 (0.33) —
SCHEMBL24855324 0.84 VDR (0.33) —
SCHEMBL22247767 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL16582431 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL21947606 0.79 ALDH1A1 (0.30) —
SCHEMBL17662436 0.79 — —
SCHEMBL22355281 0.78 MAPK1 (0.30) —
SCHEMBL22193414 0.78 MEN1 (0.31) MEN1CYP3A4ALOX15KMT2A
SCHEMBL13455172 0.78 — —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015788-A1 POLYESTER NANOCOMPOSITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-02 — — WO disclosed
WO-2012015783-A1 SURFACE-MODIFIED PARTICLES FOR POLYESTER NANOCOMPOSITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-02 — — WO disclosed
WO-2012015779-A1 SILANE COMPOSITIONS FOR POLYESTER NANOCOMPOSITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-02 — — WO disclosed