SCHEMBL10341271

SCHEMBL10341271

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.43
▸ HDAC3 O15379 14/20 0.43
▸ HDAC11 Q96DB2 14/20 0.43
▸ HDAC6 Q9UBN7 14/20 0.43
▸ HDAC1 Q13547 13/20 0.43
▸ HDAC2 Q92769 13/20 0.43
▸ HDAC10 Q969S8 13/20 0.43
▸ HDAC8 Q9BY41 13/20 0.43
▸ NCOR2 Q9Y618 3/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ SRC P12931 1/20 0.36

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
SCHEMBL10341273 0.96 HDAC3 (0.45) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL10341275 0.95 OPRK1 (0.43) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL10341266 0.91 HDAC3 (0.44) OPRK1HDAC3HDAC11HDAC6HDAC1
Glaspimod SCHEMBL609834 0.91 FOLH1 (0.48) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL11246319 0.91 OPRK1 (0.49) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL10341270 0.91 HDAC3 (0.42) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL10341274 0.90 HDAC3 (0.42) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL11104820 0.84 HDAC3 (0.48) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL29829129 0.83 CXCR4 (0.40) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL23300537 0.81 HDAC3 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112656-B1 PEPTIDE COMPOUNDS NYCOMED AS (NO) 1990-03-07 — — EP claimed
US-4499081-A INHIBITS MYELOPOIETIC SYSTEM OF HUMANS AND ANIMALS NYEGAARD & CO A/S (NO) 1985-02-12 — — US claimed
EP-0112656-A2 Peptide compounds NYCOMED AS (NO) 1984-07-04 — — EP claimed
EP-0112656-B1 PEPTIDE COMPOUNDS NYCOMED AS (NO) 1990-03-07 — — EP disclosed
US-4499081-A INHIBITS MYELOPOIETIC SYSTEM OF HUMANS AND ANIMALS NYEGAARD & CO A/S (NO) 1985-02-12 — — US disclosed
EP-0112656-A2 Peptide compounds NYCOMED AS (NO) 1984-07-04 — — EP disclosed
Send feedback