SCHEMBL28217209

SCHEMBL28217209

CCC1OC1OC(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29278300 0.80 LGALS3 (0.51) MAPTGAAKDM4E
SCHEMBL6739168 0.80 LGALS3 (0.51) MAPTGAAKDM4E
SCHEMBL38660515 0.80 LGALS9 (0.48) TSHRBCHELMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL28792398 0.79 LGALS3 (0.50) MAPTGAAKDM4E
SCHEMBL8148480 0.78 LGALS3 (0.52) —
SCHEMBL8588901 0.73 ANTXR2 (0.53) TSHRLMNAL3MBTL1KMT2AMEN1
SCHEMBL6380989 0.72 PTPN1 (0.55) TSHRADRB2ADRB1ADRB3L3MBTL1
SCHEMBL1569293 0.71 TSHR (0.80) TSHRMAPTLMNAADRB2ADRB1
SCHEMBL29535471 0.71 TSHR (0.80) TSHRMAPTLMNAADRB2ADRB1
SCHEMBL5707653 0.71 ANTXR2 (0.42) TSHRBCHEMAPTLMNAADRB2

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-104903359-B Method for forming polymerization catalysts with controlled catalyst properties and use thereof in olefin polymerization 格雷斯公司 2018-05-08 — — CN disclosed
Send feedback