SCHEMBL29220474

SCHEMBL29220474

CCC(C)C1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
HDAC4 P56524 2/20 0.51
GHSR Q92847 2/20 0.51
OXTR P30559 1/20 0.51

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
SCHEMBL29387556 0.97 ABCB1 (0.57) ABCB1HDAC4GHSROXTR
Cyclolinopeptide A SCHEMBL31609181 0.96 ABCB1 (0.54) ABCB1HDAC4OXTR
SCHEMBL29711439 0.93 ABCB1 (0.52) ABCB1HDAC4
SCHEMBL29711638 0.93 ABCB1 (0.53) ABCB1OXTR
SCHEMBL29884582 0.91 HDAC4 (0.60) HDAC4GHSR
SCHEMBL29779763 0.91 ABCB1 (0.51) ABCB1GHSR
SCHEMBL29356078 0.90 GRB2 (0.54) ABCB1HDAC4OXTR
SCHEMBL31500491 0.90 ABCB1 (0.51) ABCB1HDAC4OXTR
SCHEMBL31500492 0.90 ABCB1 (0.51) ABCB1HDAC4OXTR
SCHEMBL31500489 0.90 ABCB1 (0.51) ABCB1HDAC4OXTR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108794-A Synthesis method of flaxseed cyclic peptide 润辉生物技术(威海)有限公司 2024-05-31 CN disclosed