SCHEMBL9745110

SCHEMBL9745110

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.40
HDAC3 O15379 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
FAAH O00519 6/20 0.39
EPHX1 P07099 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL9670943 0.86 CTSK (0.45)
SCHEMBL9670931 0.86 CTSK (0.45)
SCHEMBL9671711 0.85 EPHX1 (0.35) FAAHEPHX1ALDH1A1KDM4EKMT2A
Benzene SCHEMBL9326381 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9326370 0.82 TSHR (0.41) ALDH1A1KMT2A
SCHEMBL9745592 0.82 HDAC8 (0.45) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL9325034 0.81 GLS2 (0.35) FAAHALDH1A1
SCHEMBL9670950 0.81 GLS2 (0.35) FAAHALDH1A1
SCHEMBL7295059 0.81 GLS2 (0.35) FAAHALDH1A1
SCHEMBL9671037 0.81 GLS2 (0.35) FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed