SCHEMBL7294601

SCHEMBL7294601

O=[C][C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
FKBP1A P62942 1/20 0.40

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
SCHEMBL7277970 1.00 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL9223972 0.84 KDM4E (0.44) KMT2AKDM4EMEN1
SCHEMBL2295759 0.82 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL5709588 0.82 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL7301131 0.82 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL7433845 0.81 KDM4E (0.45) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL7433838 0.81 KDM4E (0.45) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL11981992 0.81 REN (0.48) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL7277978 0.81 KDM4E (0.49) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL13840602 0.81 REN (0.48) KMT2AKDM4EMEN1ALDH1A1TSHR

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
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed