SCHEMBL585451

SCHEMBL585451

O=C(OCc1ccccc1)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC(O)(COc2ccc(N4C[C@H](CO)OC4=O)cc2F)C[C@H]1CO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CALML3 P27482 1/20 0.33
AADAT Q8N5Z0 2/20 0.33
STAT3 P40763 1/20 0.33
TUBB4A P04350 4/20 0.32
TUBB P07437 4/20 0.32
TUBA3C P0DPH7 4/20 0.32
TUBA1B P68363 4/20 0.32
TUBA4A P68366 4/20 0.32
TUBB4B P68371 4/20 0.32
TUBB3 Q13509 4/20 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
SCHEMBL585304 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL585303 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL584990 0.95 CALML3 (0.34) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL2531151 0.95 CALML3 (0.34) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL584112 0.92 AADAT (0.40) ALDH1A1KDM4EPOLBTDP1CHRM2
SCHEMBL584265 0.92 AADAT (0.40) ALDH1A1KDM4EPOLBTDP1CHRM2
SCHEMBL584525 0.92 AADAT (0.40) ALDH1A1KDM4EPOLBTDP1CHRM2
SCHEMBL584322 0.92 AADAT (0.40) ALDH1A1KDM4EPOLBTDP1CHRM2
SCHEMBL585226 0.92 AADAT (0.40) ALDH1A1KDM4EPOLBTDP1CHRM2
SCHEMBL2531198 0.92 AADAT (0.40) ALDH1A1KDM4EPOLBTDP1CHRM2

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