SCHEMBL9960095

SCHEMBL9960095

CN(C(=O)O)C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
HSD11B1 P28845 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
PYGL P06737 1/20 0.33
ATM Q13315 1/20 0.33
ABHD6 Q9BV23 2/20 0.32
GABRA5 P31644 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31

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
SCHEMBL3707642 0.87 NPC1 (0.41) PIK3CDHSD11B1NPC1RAB9AKDM4E
SCHEMBL23795105 0.87 NPC1 (0.41) PIK3CDHSD11B1NPC1RAB9AKDM4E
SCHEMBL217412 0.83
SCHEMBL11967749 0.82 PIK3CD (0.52) PIK3CDHSD11B1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4471911 0.80
SCHEMBL967360 0.80
SCHEMBL19722917 0.80 PIK3CD (0.42) PIK3CDHSD11B1NPC1RAB9AKDM4E
SCHEMBL7994816 0.80 PIK3CD (0.42) PIK3CDHSD11B1NPC1RAB9AKDM4E
SCHEMBL3958681 0.80 PIK3CD (0.42) PIK3CDHSD11B1NPC1RAB9AKDM4E
SCHEMBL965678 0.78 ALDH1A1 (0.50) NPC1RAB9AALDH1A1ATM

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
EP-3877390-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN Prelude Therapeutics, Incorporated (US) 2021-09-15 EP claimed
EP-3877390-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN Prelude Therapeutics, Incorporated (US) 2021-09-15 EP disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed