SCHEMBL9402807

SCHEMBL9402807

C=C(C)C(=O)OCCCCCO[SiH](OCCC)OCCC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.47
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
ACHE P22303 6/20 0.35
CES2 O00748 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3677710 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3676213 0.89 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9402973 0.89 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL344227 0.88 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7643207 0.85 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL738525 0.82 TSHR (0.92) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29220319 0.82 TSHR (0.92) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11775454 0.82 TSHR (1.00) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14995 0.82 TSHR (1.00) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15200 0.82 TSHR (1.00) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332779-A Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same KAWASAKI STEEL CORPORATION (JP) 1994-07-26 US disclosed
EP-0460560-A2 Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same KAWASAKI STEEL CORPORATION (JP) 1991-12-11 EP disclosed