SCHEMBL8021171

SCHEMBL8021171

COC(=O)C1OC(c2ccccc2)=N[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.39
MAOB P27338 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38
SLC6A4 P31645 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.37
MMP9 P14780 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7227003 1.00 USP1 (0.42) USP1WDR48POLBCYP2D6MAOB
SCHEMBL7219023 1.00 USP1 (0.42) USP1WDR48POLBCYP2D6MAOB
SCHEMBL14543852 0.86 USP1 (0.42) USP1WDR48MAOBALDH1A1SMN1; SMN2
SCHEMBL7221650 0.85 PDCD1 (0.42) USP1WDR48MAOBALDH1A1MAPT
SCHEMBL8036861 0.85 TSHR (0.56) USP1WDR48CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL8036865 0.85 TSHR (0.56) USP1WDR48CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL29101714 0.83 USP1 (0.47) USP1WDR48MAOBMMP9
SCHEMBL6427211 0.83 USP1 (0.47) USP1WDR48MAOBMMP9
SCHEMBL5968665 0.83 USP1 (0.47) USP1WDR48MAOBMMP9
SCHEMBL5160271 0.83 USP1 (0.47) USP1WDR48MAOBMMP9

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