SCHEMBL9745592

SCHEMBL9745592

CCCCCCCCCCCCC(C(=O)Nc1ccccc1)c1coc([Si](C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.45
HDAC3 O15379 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
PSEN1 P49768 1/20 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
SCHEMBL8985038 0.88 SMN1; SMN2 (0.43) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL9326264 0.86 MMP2 (0.36) MMP1MMP3MMP9
SCHEMBL9326302 0.85 POLB (0.52) ALDH1A1MEN1MAPTKMT2AMMP1
SCHEMBL9326295 0.85 POLB (0.52) ALDH1A1MEN1MAPTKMT2AMMP1
SCHEMBL9745110 0.82 HDAC8 (0.40) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL7303252 0.76 ALDH2 (0.37) MAPK1LMNAPSEN1PSEN2APH1B
SCHEMBL9766947 0.72 GPR84 (0.42) MAPTMMP9
SCHEMBL7301168 0.72 CA2 (0.40) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL9671527 0.72 CA2 (0.40) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL7303995 0.72 CA2 (0.40) ALDH1A1SMN1; SMN2MEN1MAPK1KMT2A

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-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed
EP-0369811-A2 Anti-inflammatory furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed