SCHEMBL9155336

SCHEMBL9155336

CC(C)(C)[Si](OCCCCC=C(F)CBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.33
SMYD2 Q9NRG4 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 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
SCHEMBL9155333 1.00 TBXAS1 (0.33) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9154355 0.89 TBXAS1 (0.33) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9154359 0.89 TBXAS1 (0.33) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9150610 0.86 HDAC3 (0.33) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9150618 0.86 HDAC3 (0.33) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9322664 0.85 SMYD2 (0.35) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9322658 0.85 SMYD2 (0.35) TBXAS1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9735823 0.85 SMYD2 (0.31) SMYD2CYP3A4HTTSMN1; SMN2HDAC3
SCHEMBL9735826 0.85 SMYD2 (0.31) SMYD2CYP3A4HTTSMN1; SMN2HDAC3
SCHEMBL9734896 0.81 CYP3A4 (0.33) SMYD2CYP3A4HTTSMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315166-B1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMA (US) 1995-02-22 EP disclosed
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
US-5145861-A Fluorinated arachidonic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-08 US disclosed
EP-0396841-A1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-14 EP disclosed
EP-0315166-A2 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-05-10 EP disclosed