SCHEMBL5485528

SCHEMBL5485528

O=[C]CCCCCCCCCCC/C=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TBXAS1 P24557 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
IDO1 P14902 2/20 0.39
HTR2A P28223 3/20 0.37

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
SCHEMBL9232451 1.00 PAM (0.43) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL5485529 1.00 PAM (0.43) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL9232454 1.00 PAM (0.43) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97133 0.98 PAM (0.44) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97134 0.98 PAM (0.44) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97321 0.93 PAM (0.46) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97320 0.93 PAM (0.46) PAMHDAC1HDAC8HDAC3HDAC4
SCHEMBL97313 0.85 PAM (0.48) PAMSIGMAR1IDO1HTR2A
SCHEMBL97314 0.85 PAM (0.48) PAMSIGMAR1IDO1HTR2A
SCHEMBL3795388 0.84 SIGMAR1 (0.50) PAMHDAC1HDAC8HDAC3HDAC4

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