SCHEMBL31609178

SCHEMBL31609178

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.53
ABCB1 P08183 1/20 0.50
OXTR P30559 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 2/20 0.48

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
SCHEMBL31500492 0.95 ABCB1 (0.51) HDAC4ABCB1OXTRHDAC1HDAC6
SCHEMBL31500491 0.95 ABCB1 (0.51) HDAC4ABCB1OXTRHDAC1HDAC6
SCHEMBL29220474 0.90 ABCB1 (0.55) HDAC4ABCB1OXTR
SCHEMBL30834923 0.89 HDAC4 (0.53) HDAC4ABCB1OXTR
SCHEMBL29884582 0.88 HDAC4 (0.60) HDAC4HDAC1HDAC6HDAC8
SCHEMBL31609176 0.88 HDAC3 (0.59) HDAC4OXTRHDAC1HDAC6HDAC8
SCHEMBL31609180 0.88 HDAC3 (0.59) HDAC4OXTRHDAC1HDAC6HDAC8
Cyclolinopeptide A SCHEMBL31609181 0.87 ABCB1 (0.54) HDAC4ABCB1OXTR
SCHEMBL29387556 0.86 ABCB1 (0.57) HDAC4ABCB1OXTR
SCHEMBL31500489 0.85 ABCB1 (0.51) HDAC4ABCB1OXTRHDAC1HDAC6

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-3746041-B1 USE OF CYCLIC PEPTIDES IN COSMETIC SEDERMA SA (FR) 2025-06-04 EP claimed
EP-3746041-B1 USE OF CYCLIC PEPTIDES IN COSMETIC SEDERMA SA (FR) 2025-06-04 EP disclosed