SCHEMBL8667278

SCHEMBL8667278

O=C(O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.48
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MME P08473 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HDAC3 O15379 4/20 0.44
▸ HDAC11 Q96DB2 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ NCOR2 Q9Y618 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
SCHEMBL10723108 0.93 LMNA (0.50) LMNATDP1MMEPOLBHDAC3
SCHEMBL8672352 0.92 NAALAD2 (0.53) LMNATDP1MMEPOLBHDAC3
SCHEMBL9651713 0.92 CCKBR (0.45) CCKBRLMNATDP1MMEPOLB
SCHEMBL8672347 0.92 NAALAD2 (0.53) LMNATDP1MMEPOLBHDAC3
SCHEMBL15067536 0.91 LMNA (0.54) LMNATDP1MMEPOLBHDAC3
SCHEMBL10335229 0.91 LMNA (0.54) LMNATDP1MMEPOLBHDAC3
SCHEMBL2791669 0.91 LMNA (0.54) LMNATDP1MMEPOLBHDAC3
SCHEMBL8672221 0.91 NAALAD2 (0.52) LMNATDP1MMEPOLBHDAC3
SCHEMBL8672575 0.90 NAALAD2 (0.53) LMNATDP1POLBHDAC3HDAC11
SCHEMBL8672571 0.90 NAALAD2 (0.53) LMNATDP1POLBHDAC3HDAC11

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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