SCHEMBL8672575

SCHEMBL8672575

O=C(O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 3/20 0.53
▸ POLB P06746 1/20 0.51
▸ HDAC3 O15379 5/20 0.49
▸ HDAC11 Q96DB2 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC2 Q92769 4/20 0.49
▸ HDAC10 Q969S8 4/20 0.49
▸ HDAC8 Q9BY41 4/20 0.49
▸ NCOR2 Q9Y618 2/20 0.49
▸ HPGD P15428 1/20 0.46
▸ FOLH1 Q04609 2/20 0.44
▸ GNPAT O15228 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8672571 1.00 NAALAD2 (0.53) NAALAD2POLBHDAC3HDAC11HDAC6
SCHEMBL8672221 0.97 NAALAD2 (0.52) NAALAD2POLBHDAC3HDAC11HDAC6
SCHEMBL8672352 0.96 NAALAD2 (0.53) NAALAD2POLBHDAC3HDAC11HDAC6
SCHEMBL8672347 0.96 NAALAD2 (0.53) NAALAD2POLBHDAC3HDAC11HDAC6
SCHEMBL10723108 0.92 LMNA (0.50) POLBHDAC3HDAC11HDAC6HDAC1
SCHEMBL8667278 0.90 CCKBR (0.48) POLBHDAC3HDAC11HDAC6HDAC1
SCHEMBL30844021 0.88 HDAC3 (0.47) NAALAD2POLBHDAC3HDAC11HDAC6
SCHEMBL8079416 0.87 HDAC3 (0.49) NAALAD2HDAC3HDAC11HDAC6HDAC1
SCHEMBL31751930 0.87 HDAC3 (0.49) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL15067536 0.87 LMNA (0.54) POLBHDAC3HDAC11HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883629-A1 OLIGOPEPTIDES FOR DRUG DELIVERY Emisphere Technologies, Inc. (US) 1998-12-16 — — EP disclosed
WO-1997031938-A9 OLIGOPEPTIDES FOR DRUG DELIVERY — 1997-11-20 — — WO disclosed
WO-1997031938-A1 OLIGOPEPTIDES FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1997-09-04 — — WO disclosed
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