Sugi Predict

Sugi Predict / Compounds / SCHEMBL9790004

SCHEMBL9790004

SCHEMBL9790004

CC(C)(C)COC(=O)OC(=O)OCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 1/20 0.50
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL320682 0.88 ALDH1A1 (0.45) SOAT1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL9790011 0.87 SOAT1 (0.39) SOAT1CYP2C19ALDH1A1KMT2A
SCHEMBL632730 0.83 CYP2C19 (0.36) SOAT1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL305795 0.81 KMT2A (0.37) SOAT1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL5964972 0.79 ALDH1A1 (0.38) CYP2C19ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL12306265 0.79 HDAC6 (0.36) CYP2C19ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL11986240 0.79 ALDH1A1 (0.38) CYP2C19ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL305794 0.79 CYP2C19 (0.33) CYP2C19ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL304788 0.79 ALDH1A1 (0.65) SOAT1CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL17036113 0.79 CYP2C19 (0.33) CYP2C19ALDH1A1KMT2ALMNAHSD17B10

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-4983320-A Tertiary amine decomposition catalysts; polyurethane foams AKZO N.V. (NL) 1991-01-08 — — US claimed