SCHEMBL28670837

SCHEMBL28670837

CC(C)(C)C(=O)NCCCCC(NC(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.50
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TGM2 P21980 1/20 0.40
▸ ALB P02768 2/20 0.40
▸ RRM1 P23921 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39

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
SCHEMBL28670835 1.00 FOLH1 (0.50) FOLH1POLBSMN1; SMN2TGM2ALB
SCHEMBL13671361 0.87 POLB (0.41) FOLH1POLBSMN1; SMN2TGM2
SCHEMBL13660692 0.87 POLB (0.44) FOLH1POLBSMN1; SMN2TGM2RRM1
SCHEMBL26830774 0.86 FOLH1 (0.57) FOLH1
SCHEMBL18876678 0.86 NOD1 (0.46) FOLH1SMN1; SMN2NOD1
SCHEMBL23786176 0.85 FOLH1 (0.72) FOLH1
SCHEMBL21206343 0.84 SIRT1 (0.40) FOLH1POLBSMN1; SMN2TGM2
SCHEMBL24805405 0.84 C3AR1 (0.48) FOLH1POLBSMN1; SMN2NOD1
SCHEMBL25564681 0.83 SIRT6 (0.39) FOLH1POLBSMN1; SMN2TGM2
SCHEMBL4552682 0.81 FOLH1 (0.40) FOLH1POLBSMN1; SMN2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324811-A Neurokinin-1 antagonists 福建盛迪医药有限公司 2024-07-12 — — CN disclosed
CN-113905735-B Neurokinin-1 antagonists 福建盛迪医药有限公司 2024-03-15 — — CN disclosed
CN-113905735-A Neurokinin-1 antagonists 上海盛迪医药有限公司 2022-01-07 — — CN disclosed
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