SCHEMBL29601720

SCHEMBL29601720

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC10 Q969S8 5/20 0.55
HDAC11 Q96DB2 5/20 0.55
HDAC8 Q9BY41 3/20 0.55
NCOR1 O75376 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
HRH3 Q9Y5N1 1/20 0.52
ITGB3 P05106 2/20 0.52
ITGAV P06756 2/20 0.52
ITGA2B P08514 2/20 0.52
ITGB5 P18084 2/20 0.52
ITGB6 P18564 2/20 0.52
MLNR O43193 6/20 0.49
GHSR Q92847 1/20 0.47

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
SCHEMBL29602402 1.00 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL25310386 1.00 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL162018 1.00 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6986236 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29601701 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30174305 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6989670 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29601883 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14952763 0.87 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21128764 0.84 MLNR (0.63) HDAC3HDAC1HDAC2HDAC10HDAC11

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-114621311-A Method for synthesizing cyclic heptapeptide Mortiamides and analogues thereof under assistance of DPKO carrier 西北工业大学 2022-06-14 CN disclosed