SCHEMBL8672352

SCHEMBL8672352

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 3/20 0.53
▸ HDAC3 O15379 7/20 0.51
▸ HDAC11 Q96DB2 7/20 0.51
▸ HDAC6 Q9UBN7 7/20 0.51
▸ HDAC1 Q13547 6/20 0.51
▸ HDAC2 Q92769 6/20 0.51
▸ HDAC10 Q969S8 6/20 0.51
▸ HDAC8 Q9BY41 6/20 0.51
▸ NCOR2 Q9Y618 2/20 0.51
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ MME P08473 2/20 0.44
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 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
SCHEMBL8672347 1.00 NAALAD2 (0.53) NAALAD2HDAC3HDAC11HDAC6HDAC1
SCHEMBL8672221 0.99 NAALAD2 (0.52) NAALAD2HDAC3HDAC11HDAC6HDAC1
SCHEMBL8672571 0.96 NAALAD2 (0.53) NAALAD2HDAC3HDAC11HDAC6HDAC1
SCHEMBL8672575 0.96 NAALAD2 (0.53) NAALAD2HDAC3HDAC11HDAC6HDAC1
SCHEMBL8667278 0.92 CCKBR (0.48) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL10723108 0.92 LMNA (0.50) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL8079416 0.91 HDAC3 (0.49) NAALAD2HDAC3HDAC11HDAC6HDAC1
SCHEMBL2791669 0.89 LMNA (0.54) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL15067536 0.89 LMNA (0.54) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL10335229 0.89 LMNA (0.54) HDAC3HDAC11HDAC6HDAC1HDAC2

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