Sugi Predict

Sugi Predict / Compounds / SCHEMBL9599216

SCHEMBL9599216

SCHEMBL9599216

[CH2]C(CCOCCO)OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ THRB P10828 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL19282877 0.84 MEN1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL648734 0.82 HSD17B10 (0.34) THRB
SCHEMBL28192681 0.81 — —
SCHEMBL1019320 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL13319641 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL25779343 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL1552228 0.77 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL29044901 0.77 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL21373955 0.76 TSHR (0.52) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL1355207 0.76 TSHR (0.52) ALDH1A1TSHRMAPK1MEN1KMT2A

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-5194674-A Useful during permanent press treatment of fabrics and manufacture of particle board WEST POINT PEPPERELL (US) 1993-03-16 — — US disclosed