SCHEMBL28870856

SCHEMBL28870856

CC(C)(C)C(=O)ON1CCCC1C(=O)NN

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 2/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ENO1 P06733 1/20 0.30
FKBP1A P62942 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28284120 1.00 POLB (0.32) POLBBRD4SMN1; SMN2NPC1LMNA
SCHEMBL27996460 0.95 FKBP1A (0.35) POLBSMN1; SMN2FKBP1A
SCHEMBL28092128 0.95 FKBP1A (0.35) POLBSMN1; SMN2FKBP1A
SCHEMBL28080555 0.95 FKBP1A (0.35) POLBSMN1; SMN2FKBP1A
SCHEMBL28159943 0.84 SMN1; SMN2 (0.36) POLBSMN1; SMN2LMNACYP2C19HSD17B10
SCHEMBL28021974 0.83 HSD17B10 (0.33) LMNACYP2C19HSD17B10ENO1
SCHEMBL28021961 0.83 HSD17B10 (0.33) LMNACYP2C19HSD17B10ENO1
SCHEMBL27689894 0.82 FKBP1A (0.35) POLBFKBP1A
SCHEMBL10770001 0.81 HSD17B10 (0.33) NPC1LMNACYP2C19HSD17B10ENO1
SCHEMBL10769997 0.80 HSD17B10 (0.33) LMNACYP2C19HSD17B10ENO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106967066-B Novel ss-lactam enzyme inhibitor and preparation method thereof 明治制果药业株式会社 2019-07-30 CN disclosed
CN-105859609-B Beta-lactamase inhibitor and preparation method thereof 明治制果药业株式会社 2019-04-09 CN disclosed