SCHEMBL5691221

SCHEMBL5691221

O=C(NCCCCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)NCCS)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ GRIN1 Q05586 2/20 0.53
▸ GRIN2A Q12879 2/20 0.53
▸ FOLH1 Q04609 3/20 0.48
▸ KDM1A O60341 4/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ ROCK2 O75116 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ GRIA1 P42261 1/20 0.45
▸ NAAA Q02083 1/20 0.45

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
SCHEMBL6657326 0.81 HDAC2 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10801036 0.80 FOLH1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11544593 0.80 FOLH1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14279160 0.79 NAAA (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11576579 0.79 FOLH1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14279162 0.78 L3MBTL1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12045762 0.78 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11545905 0.77 NAAA (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10801725 0.76 FOLH1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8975695 0.76 FOLH1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268505-B1 SOLID PHASE SYNTHESIS METHOD AND REAGENT SURMODICS INC (US) 2006-04-12 — — EP disclosed
EP-0888389-B1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2004-08-04 — — EP disclosed
EP-1268505-A2 SOLID PHASE SYNTHESIS METHOD AND REAGENT SurModics, Inc. (US) 2003-01-02 — — EP disclosed
US-6410643-B1 COUPLING NUCLEOTIDE TO SUPPORT SURMODICS, INC. 2002-06-25 — — US disclosed
WO-2001066554-A2 SOLID PHASE SYNTHESIS METHOD AND REAGENT SURMODICS, INC. (US) 2001-09-13 — — WO disclosed
EP-0888389-A4 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2001-03-14 — — EP disclosed
US-5942555-A Photoactivatable chain transfer agents and semi-telechelic photoactivatable polymers prepared therefrom SURMODICS, INC. (US) 1999-08-24 — — US disclosed
EP-0888389-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SurModics, Inc. (US) 1999-01-07 — — EP disclosed
WO-1997034935-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS BSI CORPORATION (US) 1997-09-25 — — WO disclosed
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