SCHEMBL10580958

SCHEMBL10580958

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 12/20 0.40
▸ HDAC11 Q96DB2 12/20 0.40
▸ HDAC6 Q9UBN7 12/20 0.40
▸ HDAC1 Q13547 11/20 0.40
▸ HDAC10 Q969S8 11/20 0.40
▸ HDAC8 Q9BY41 11/20 0.40
▸ HDAC2 Q92769 10/20 0.40
▸ NCOR2 Q9Y618 3/20 0.39
▸ POLB P06746 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRHR P34981 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ DAGLA Q9Y4D2 1/20 0.34

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
SCHEMBL2190498 0.86 CNR1 (0.41) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL13113739 0.82 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL23300538 0.81 HDAC3 (0.48) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL23300537 0.81 HDAC3 (0.48) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL29776748 0.81 HDAC3 (0.48) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL8669058 0.79 POLB (0.39) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL1607473 0.78 POLB (0.38) HDAC3HDAC11HDAC6HDAC1HDAC10
SCHEMBL10819021 0.74 CTSB (0.46) —
SCHEMBL10533944 0.74 CTSB (0.46) —
SCHEMBL10335267 0.74 CTSC (0.52) HDAC3HDAC11HDAC6HDAC1HDAC10

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-0301639-A2 Analogues of the bradykinin potentiating peptide BPP 5a and methods for their preparation ENI-Ente Nazionale Idrocarburi (IT) 1989-02-01 — — EP disclosed
EP-0190597-A2 Retro-inverso analogs of the bradykinin potentiating peptide bpp 5a SCLAVO S.p.A. (IT) 1986-08-13 — — EP disclosed
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