SCHEMBL11020286

SCHEMBL11020286

CCCCOCCOCCOCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

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 0.32
HPGD P15428 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
RARB P10826 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2581085 0.98 TSHR (0.44) TSHRCYP3A4MEN1THRBHTT
SCHEMBL15705449 0.93 MEN1 (0.33) TSHRCYP3A4MEN1THRBHTT
SCHEMBL16367157 0.92 HTT (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3503366 0.91 TSHR (0.33) TSHRMEN1THRBHTTKMT2A
SCHEMBL3214360 0.89 ALDH1A1 (0.33) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3893505 0.89 TSHR (0.34) TSHRCYP3A4MEN1THRBHTT
SCHEMBL21440327 0.89 TSHR (0.44) TSHRCYP3A4MEN1THRBHTT
SCHEMBL11021775 0.89 ALDH1A1 (0.33) TSHRCYP3A4MEN1THRBHTT
SCHEMBL17991841 0.89 TSHR (0.32) TSHR
SCHEMBL28198125 0.86 HTT (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160988-A2 Stable silica-based ether bonded phases for biopolymer separations BECKMAN INSTRUMENTS, INC. (US) 1985-11-13 EP disclosed