SCHEMBL9322658

SCHEMBL9322658

CC(C)(C)[Si](OCCCC/C=C(\F)CC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
TBXAS1 P24557 4/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
LTB4R Q15722 3/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL9322664 1.00 SMYD2 (0.35) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL9154355 0.86 TBXAS1 (0.33) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL9154359 0.86 TBXAS1 (0.33) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL9155333 0.85 TBXAS1 (0.33) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL9155336 0.85 TBXAS1 (0.33) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL9150618 0.84 HDAC3 (0.33) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL9150610 0.84 HDAC3 (0.33) SMYD2TBXAS1CYP3A4HTTSMN1; SMN2
SCHEMBL38662 0.83 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL20500262 0.82 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R
SCHEMBL22664469 0.82 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396841-B1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMA (US) 1994-02-02 EP disclosed
US-5225429-A Fluorinated arachidonic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1993-07-06 US disclosed
EP-0396841-A1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-14 EP disclosed