SCHEMBL9722663

SCHEMBL9722663

CCOC(=O)c1ncoc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.52
GSK3B P49841 1/20 0.47
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
DCTPP1 Q9H773 1/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL9722610 0.85 GSK3B (0.53) FBP1GSK3BNAMPTKDM4EPOLB
SCHEMBL5727790 0.85 FBP1 (0.69) FBP1GSK3BNPC1RAB9AKDM4E
SCHEMBL9671143 0.84 FBP1 (0.48) FBP1GSK3BNPC1MEN1KMT2A
SCHEMBL9722608 0.84 FBP1 (0.53) FBP1GSK3BCDC7DBF4ALDH1A1
SCHEMBL28550480 0.80 TARBP2 (0.55) FBP1GSK3BNPC1RAB9AMEN1
SCHEMBL9722656 0.80 FBP1 (0.46) FBP1GSK3BNPC1RAB9AKDM4E
SCHEMBL23354396 0.79 CDC7 (0.50) FBP1GSK3BCDC7DBF4NPC1
SCHEMBL9586836 0.79 FBP1 (0.51) FBP1GSK3BKDM4EMAPTMEN1
SCHEMBL9587212 0.79 ALOX5 (0.52) FBP1MAPTALDH1A1
SCHEMBL25292389 0.78 FBP1 (0.46) FBP1NPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538059-B Reaction method for selectively synthesizing oxazole-4-carboxylic ester 南京工业大学 2022-07-19 CN disclosed
CN-112538059-A Reaction method for selectively synthesizing oxazole-4-carboxylic ester 南京工业大学 2021-03-23 CN disclosed
US-5106986-A PREPARATION OF AMINOETHANOL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0450180-A2 Process for the preparation of aminoethanol derivatives BAYER AG (DE) 1991-10-09 EP disclosed