SCHEMBL8579862

SCHEMBL8579862

CC(O[SiH](c1ccccc1)c1cccc(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ ACHE P22303 3/20 0.39
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL3296973 0.77 RXRA (0.40) RXRARXRBACHEHDAC4HDAC2
SCHEMBL232456 0.73 CYP1A2 (0.51) RXRARXRBACHEHDAC4HDAC2
SCHEMBL17315931 0.72 BCHE (0.31) RXRARXRB
SCHEMBL3295540 0.71 HDAC8 (0.41) RXRARXRBACHEHDAC4HDAC2
SCHEMBL9802325 0.69 ATM (0.37) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9432002 0.69 TSHR (0.36) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7344623 0.66 ATM (0.37) HDAC4HDAC2HDAC8GAACYP2C19
SCHEMBL7357616 0.66 PTGS1 (0.56) RXRARXRBACHEHDAC4HDAC2
SCHEMBL3235713 0.66 RXRA (0.43) RXRARXRBACHEHDAC4HDAC2
SCHEMBL17781751 0.65 RXRA (0.41) RXRARXRBACHEHDAC4HDAC2

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
WO-1998027209-A1 POLYCATIONIC OLIGOMERS EMORY UNIVERSITY (US) 1998-06-25 — — WO disclosed
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