SCHEMBL31609180

SCHEMBL31609180

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
OXTR P30559 2/20 0.58
CIB1 Q99828 2/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
FLT1 P17948 1/20 0.53

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
SCHEMBL31609176 0.99 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31609179 0.93 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30179434 0.90 OXTR (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31609178 0.88 HDAC4 (0.53) HDAC4HDAC1HDAC8HDAC6OXTR
SCHEMBL24614245 0.86 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30833606 0.86 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31500491 0.85 ABCB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31500492 0.85 ABCB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8568487 0.81 OXTR (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29220474 0.81 ABCB1 (0.55) HDAC4OXTR

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