SCHEMBL30912331

SCHEMBL30912331

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 4/20 0.50
SOAT1 P35610 3/20 0.50
GHSR Q92847 5/20 0.46
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
ITGB2 P05107 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGAM P11215 1/20 0.45
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL31197218 0.89 SOAT2 (0.53) SOAT2SOAT1GHSRHDAC3HDAC1
SCHEMBL31197219 0.89 SOAT2 (0.53) SOAT2SOAT1GHSRHDAC3HDAC1
SCHEMBL24739370 0.87 KEAP1 (0.46) SOAT2SOAT1ITGB1ITGA4ITGB2
SCHEMBL29926386 0.83 MLNR (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17307116 0.81 CTSD (0.48) GHSRHDAC3HDAC1HDAC2HDAC10
SCHEMBL15186063 0.81 CTSD (0.48) GHSRHDAC3HDAC1HDAC2HDAC10
SCHEMBL31603773 0.78 SOAT2 (0.51) SOAT2SOAT1GHSRHDAC3HDAC1
SCHEMBL31603772 0.78 SOAT2 (0.51) SOAT2SOAT1GHSRHDAC3HDAC1
SCHEMBL30317658 0.78 SOAT2 (0.51) SOAT2SOAT1GHSRHDAC3HDAC1
SCHEMBL28975626 0.78 PSMB11 (0.54) GHSR

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-118091005-A Method for detecting multiple components in deer astragalus kidney-tonifying particles 上海市第七人民医院(上海中医药大学附属第七人民医院) 2024-05-28 CN claimed