SCHEMBL30785409

SCHEMBL30785409

C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
HDAC4 P56524 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 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
SCHEMBL31237781 0.89 HDAC4 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29412929 0.87 HDAC4 (0.54) HDAC4
SCHEMBL30637574 0.87 HDAC4 (0.56) HDAC4HDAC3HDAC1HDAC7HDAC2
Yunnanin A SCHEMBL30725610 0.84 HDAC4 (0.52) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL24614249 0.84 HDAC4 (0.64) HDAC4HDAC3HDAC1HDAC7HDAC2
Segetalin D SCHEMBL151348 0.81 HDAC4 (0.54) MEN1HDAC4HDAC3HDAC1HDAC7
SCHEMBL30576709 0.81 HDAC4 (0.58) MEN1HDAC4HDAC3HDAC1HDAC7
SCHEMBL12368077 0.80 HDAC4 (0.69) MEN1HDAC4HDAC3HDAC1HDAC7
SCHEMBL14206285 0.80 HDAC4 (0.69) MEN1HDAC4HDAC3HDAC1HDAC7
SCHEMBL12392880 0.80 HDAC4 (0.69) MEN1HDAC4HDAC3HDAC1HDAC7

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-117567557-A Preparation of integrated cyclic lipopeptides and anti-tumor effect 滨州医学院 2024-02-20 CN disclosed