SCHEMBL583952

SCHEMBL583952

C=C1CN[C@H](C(Oc2c(F)c(F)cc3c(=O)c(C(=O)OCc4ccccc4)cn(CC)c23)C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
PMP22 Q01453 1/20 0.35
TOP1 P11387 3/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL2527145 1.00 STAT3 (0.41) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL584986 0.91 KDM4E (0.41) STAT3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL585403 0.90 GSK3B (0.41) STAT3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2837867 0.90 GSK3B (0.41) STAT3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2531161 0.89 HSD17B10 (0.45) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL584762 0.89 HSD17B10 (0.45) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL585458 0.86 STAT3 (0.39) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2840348 0.82 GSK3B (0.38) STAT3TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2838588 0.81 ADRB2 (0.46) STAT3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL584972 0.81 ADRB2 (0.46) STAT3ALDH1A1KDM4EHPGDHSD17B10

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-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed