Sugi Predict

Sugi Predict / Compounds / SCHEMBL9459358

SCHEMBL9459358

SCHEMBL9459358

C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC.C=CC(=O)OCCC[Si](OCC)(OCC)OCC.C=C[Si](OCCOC)(OCCOC)OCCOC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TP53 P04637 2/20 0.30
▸ HIF1A Q16665 2/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL10650071 0.94 TSHR (0.41) TSHRTHRB
SCHEMBL4603161 0.89 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL424597 0.86 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5080728 0.86 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11220288 0.86 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8850828 0.86 TSHR (0.46) TSHRHPGDTHRB
SCHEMBL11059699 0.85 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL3272522 0.85 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL11030313 0.84 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL996122 0.84 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB

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-5227422-A Water soluble resin, polyurethane, crosslinking agent, clear coating, one-step baking KANSAI PAINT COMPANY, LIMITED (JP) 1993-07-13 — — US disclosed