SCHEMBL28404111

SCHEMBL28404111

C=C(C)C(=O)OCCCCCC[SiH2]c1cccc(OCC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ THRB P10828 1/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ GLA P06280 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ NR1I2 O75469 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
SCHEMBL28407922 1.00 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28407848 0.99 POLB (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28407923 0.95 POLB (0.40) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28407841 0.84 TSHR (0.42) TSHRTHRBL3MBTL1LMNAMAPT
SCHEMBL28407981 0.84 TSHR (0.42) TSHRTHRBL3MBTL1LMNAMAPT
SCHEMBL28401961 0.84 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28407867 0.84 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28407979 0.83 TSHR (0.40) TSHRTHRBL3MBTL1LMNAMAPT
SCHEMBL28407920 0.83 POLB (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL707985 0.80 ALDH1A1 (0.39) TSHRPOLBTDP1L3MBTL1LMNA

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
CN-109964327-B Field-effect transistor, method for manufacturing same, wireless communication device using same, and commodity label 东丽株式会社 2020-05-19 — — CN disclosed
Send feedback