SCHEMBL8034343

SCHEMBL8034343

COC(=O)C[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
CACNA1G O43497 1/20 0.38
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 2/20 0.35
ACHE P22303 1/20 0.35
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MIF P14174 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL8021186 0.85 USP1 (0.44) USP1WDR48MAOBMAPTMMP9
SCHEMBL8021184 0.85 USP1 (0.44) USP1WDR48MAOBMAPTMMP9
SCHEMBL8032384 0.81 CACNA1G (0.37) CACNA1GMAOBTSHRMAPTMMP9
SCHEMBL8034368 0.81 TSHR (0.40) TSHR
SCHEMBL8021171 0.77 USP1 (0.42) USP1WDR48MAOBTSHRMAPT
SCHEMBL7227003 0.77 USP1 (0.42) USP1WDR48MAOBTSHRMAPT
SCHEMBL7219023 0.77 USP1 (0.42) USP1WDR48MAOBTSHRMAPT
SCHEMBL8030521 0.76 ACHE (0.38) ACHEHSD17B10ALDH1A1KMT2A
SCHEMBL8030790 0.75 USP1 (0.42) USP1WDR48MAOBMAPTMMP9
SCHEMBL8030788 0.75 USP1 (0.42) USP1WDR48MAOBMAPTMMP9

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
US-6127546-A Process for the preparation of oxazoline compound DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2000-10-03 US disclosed