SCHEMBL29713552

SCHEMBL29713552

CC(NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.46
▸ HDAC3 O15379 10/20 0.42
▸ HDAC11 Q96DB2 10/20 0.42
▸ HDAC6 Q9UBN7 10/20 0.42
▸ HDAC1 Q13547 9/20 0.42
▸ HDAC2 Q92769 9/20 0.42
▸ HDAC10 Q969S8 9/20 0.42
▸ HDAC8 Q9BY41 9/20 0.42
▸ NCOR2 Q9Y618 3/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ TRHR P34981 1/20 0.38

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
SCHEMBL29416863 1.00 OPRK1 (0.46) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL30844023 0.89 OPRK1 (0.42) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL27905689 0.87 OPRK1 (0.44) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL159687 0.87 OPRK1 (0.44) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL159688 0.87 OPRK1 (0.44) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL31061201 0.83 OPRK1 (0.45) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL11246319 0.83 OPRK1 (0.49) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL31199140 0.83 OPRK1 (0.41) OPRK1HDAC3HDAC11HDAC6HDAC1
SCHEMBL29511483 0.80 POLB (0.43) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL5699653 0.80 POLB (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533485-B Flavor composition and screening method for identifying flavor composition 马斯公司 2024-04-12 — — CN claimed
EP-4097145-B1 REDUCTION OF ADSORPTION LEUKOCARE AG (DE) 2026-01-28 — — EP disclosed
CN-119039417-A Polypeptide compound and application thereof 联邦生物科技(珠海横琴)有限公司 2024-11-29 — — CN disclosed
EP-4097145-A1 REDUCTION OF ADSORPTION LEUKOCARE AG (DE) 2022-12-07 — — EP disclosed
EP-4013436-A1 METHOD FOR OBTAINING EFFICIENT COMPOSITIONS COMPRISING VIRAL VECTORS FOR VACCINATION OR GENE THERAPY LEUKOCARE AG (DE) 2022-06-22 — — EP disclosed
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