SCHEMBL22980252

SCHEMBL22980252

CCCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ECE1 P42892 1/20 0.34
PPM1D O15297 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PPP5C P53041 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 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
SCHEMBL9754728 0.87 MEN1 (0.31) GBA2L3MBTL1
SCHEMBL9596202 0.84 GBA2 (0.32) GBA2LMNAPOLBSMN1; SMN2
SCHEMBL9595806 0.84 GBA2 (0.36) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL4078697 0.84 GBA2 (0.41) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL9595393 0.82 GBA2 (0.35) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL8113961 0.82 GBA2 (0.35) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL9384319 0.81 CYP19A1 (0.33) PPM1D
SCHEMBL2146097 0.81 GBA2 (0.41) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL30104016 0.81 TSHR (0.37) PPM1D
SCHEMBL9595391 0.81 LMNA (0.36) GBA2LMNAPOLBSMN1; SMN2ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023041757-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
WO-2023041756-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
EP-4010080-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2022-06-15 EP disclosed
WO-2021028643-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2021-02-18 WO disclosed