SCHEMBL7109570

SCHEMBL7109570

CCCCOCCO[Si](OCC)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.43
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
RARB P10826 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7109465 1.00 TSHR (0.44) TSHRCYP3A4MEN1THRBHTT
SCHEMBL1129112 0.93 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3963478 0.93 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL766206 0.85 ADRB2 (0.39) TSHRCYP3A4THRBSMN1; SMN2HPGD
SCHEMBL432981 0.85 ADRB2 (0.39) TSHRCYP3A4THRBSMN1; SMN2HPGD
SCHEMBL8565874 0.85 ADRB2 (0.39) TSHRCYP3A4THRBSMN1; SMN2HPGD
SCHEMBL565284 0.85 ADRB2 (0.39) TSHRCYP3A4THRBSMN1; SMN2HPGD
Water SCHEMBL27572370 0.83 ADRB2 (0.38) TSHRCYP3A4SMN1; SMN2HPGDADRB2
SCHEMBL28735026 0.83 CYP3A4 (0.35) CYP3A4
SCHEMBL7111658 0.82 TSHR (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754739-B1 Curable coating composition KANSAI PAINT CO LTD (JP) 2003-10-29 EP disclosed
US-5684095-A POLYESTER, POLYEPOXIDE, SILICON COMPOUND AND CHELATE CMPOUND IN SOLVENT KANSAI PAINT COMPANY, LIMITED (JP) 1997-11-04 US disclosed
EP-0754739-A2 Curable coating composition KANSAI PAINT CO., LTD. (JP) 1997-01-22 EP disclosed