SCHEMBL5485532

SCHEMBL5485532

O=CCCCCCCCCCCCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.47
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TBXAS1 P24557 1/20 0.44
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
IDO1 P14902 2/20 0.42

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
SCHEMBL9232461 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL1248561 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL3402187 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL17746757 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL1248562 1.00 PAM (0.47) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97135 0.98 PAM (0.48) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL22245646 0.94 PAM (0.48) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97322 0.94 PAM (0.48) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL3795388 0.89 SIGMAR1 (0.50) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL2399949 0.85 PAM (0.52) PAMTRPA1ALDH1A1LMNAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291747-B2 Silicon compounds and process for preparation thereof CHISSO CORPORATION (JP) 2007-11-06 US disclosed
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 US disclosed