SCHEMBL22823955

SCHEMBL22823955

COP(=O)(NC(C)C)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
BCHE P06276 1/20 0.48
HIF1A Q16665 1/20 0.48
CTSA P10619 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 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
SCHEMBL28669001 0.87 ALDH1A1 (0.48) ALDH1A1BCHEHIF1ACTSAACHE
SCHEMBL25915989 0.85 ALDH1A1 (0.57) ALDH1A1BCHEHIF1AL3MBTL1CA12
SCHEMBL22824203 0.79 ALDH1A1 (0.41) ALDH1A1BCHEHIF1AMMP1MMP2
SCHEMBL24540277 0.73 CTSA (0.36) ALDH1A1BCHEHIF1ACTSAACHE
SCHEMBL22995592 0.73 CTSA (0.36) ALDH1A1BCHEHIF1ACTSAACHE
SCHEMBL26522315 0.71 CTSA (0.34) ALDH1A1CTSAACHEKDM4E
SCHEMBL18481884 0.71 ALDH1A1 (0.68) ALDH1A1BCHEHIF1ACA12CA1
SCHEMBL20078943 0.68 KDM4E (0.44) ALDH1A1BCHEHIF1ACTSAACHE
SCHEMBL24540480 0.67
SCHEMBL28660598 0.67 CTSA (0.43) ALDH1A1BCHEHIF1ACTSAACHE

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
WO-2022126275-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-23 WO disclosed
WO-2020252598-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-12-24 WO disclosed