SCHEMBL8729254

SCHEMBL8729254

N#CC(CCCOc1ccc(-c2ccccc2)cc1)C(=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.51
▸ HDAC2 Q92769 9/20 0.51
▸ HDAC3 O15379 8/20 0.51
▸ HDAC4 P56524 8/20 0.51
▸ HDAC7 Q8WUI4 8/20 0.51
▸ HDAC10 Q969S8 8/20 0.51
▸ HDAC11 Q96DB2 8/20 0.51
▸ HDAC8 Q9BY41 8/20 0.51
▸ HDAC6 Q9UBN7 8/20 0.51
▸ HDAC9 Q9UKV0 8/20 0.51
▸ HDAC5 Q9UQL6 8/20 0.51
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44

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
SCHEMBL8724932 0.84 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6258623 0.76 KCNA3 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8939326 0.76 LSS (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10941544 0.75 LMNA (0.44) GAAPPARGPPARAALDH1A1
SCHEMBL8939352 0.74 LSS (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7364932 0.73 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6024662 0.73 ALOX5 (0.53) PPARGPPARAMAPTPTGESALOX5
SCHEMBL8939346 0.73 LSS (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29359699 0.73 LSS (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8939312 0.72 LTA4H (0.50) PPARGPPARAMAPTPTGESALOX5

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
EP-0861230-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL, INC. (US) 1998-09-02 — — EP disclosed
WO-1997014674-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL INC. (US) 1997-04-24 — — WO disclosed
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