SCHEMBL10893263

SCHEMBL10893263

CCCCOCCO[Si](C)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
RARB P10826 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
SCHEMBL854814 0.93 TSHR (0.48) TSHRCYP3A4MEN1THRBHTT
SCHEMBL1189490 0.86 ADRB2 (0.38) TSHRCYP3A4SMN1; SMN2ALDH1A1ADRB2
SCHEMBL837875 0.86 ADRB2 (0.38) TSHRCYP3A4SMN1; SMN2ALDH1A1ADRB2
SCHEMBL10356609 0.83 TSHR (0.43) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7109570 0.80 TSHR (0.44) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7109465 0.80 TSHR (0.44) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6292792 0.79 CA1 (0.33) TSHRMEN1THRBHTTKMT2A
SCHEMBL8607727 0.79 TSHR (0.48) TSHRCYP3A4MEN1THRBHTT
SCHEMBL93421 0.78 ADRB2 (0.43) TSHRCYP3A4THRBSMN1; SMN2ALDH1A1
SCHEMBL14201357 0.77 TSHR (0.41) TSHRCYP3A4MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4613451-A SELF-CURING COATING PPG INDUSTRIES, INC. (US) 1986-09-23 US disclosed
US-4501872-A FILMS; COATINGS; SELF-CURING AT LOW TEMPERATURES PPG INDUSTRIES, INC. (US) 1985-02-26 US disclosed
US-4467081-A Gelable, silicate rich resins from hydrophobic polyols and volatile and/or incompatible organosilicates PPG INDUSTRIES, INC. (US) 1984-08-21 US disclosed
US-4446292-A Moisture curable compositions containing reaction products of hydrophobic polyols and monomer organosilicon-containing substances PPG INDUSTRIES, INC. (US) 1984-05-01 US disclosed