SCHEMBL28040366

SCHEMBL28040366

Cc1cc(C)c([SiH2]c2ccccc2)c(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 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
SCHEMBL988389 0.87 KDM4E (0.34) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL28040802 0.80 TSHR (0.36) TSHRACHE
SCHEMBL988673 0.78 TSHR (0.37) TSHRACHE
SCHEMBL28040846 0.78 CYP1A2 (0.40) TSHRACHE
SCHEMBL2057992 0.76 KDM4E (0.36) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL31590141 0.75 KDM4E (0.32) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL28823591 0.75 KDM4E (0.32) KDM4EMEN1ALDH1A1POLBMAPT
Ethylene SCHEMBL29078356 0.71 TSHR (0.39) ALDH1A1MAPTTSHRACHE
SCHEMBL28278745 0.71 TSHR (0.44) ALDH1A1MAPTTSHRACHE
SCHEMBL52125 0.71 TSHR (0.44) ALDH1A1MAPTTSHRACHE

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed