SCHEMBL30323391

SCHEMBL30323391

CCOC(=O)C1CCN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.46
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL15374439 0.86 MEN1 (0.65) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL30323679 0.85 GAA (0.49) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL24355064 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL30323350 0.81 MMP1 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL20304005 0.81 KDM4E (0.47) KDM4EGAAMMP1MMP13HRH3
SCHEMBL1831080 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL30211665 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL14345645 0.79 MEN1 (0.59) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL10813366 0.78 MEN1 (0.58) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL17048430 0.78 CCR8 (0.66) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 WO disclosed