SCHEMBL584762

SCHEMBL584762

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
PMP22 Q01453 1/20 0.44
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIM1 P11309 1/20 0.38
DRD3 P35462 1/20 0.38
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35

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
SCHEMBL2531161 1.00 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL584986 0.92 KDM4E (0.41) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL2527145 0.89 STAT3 (0.41) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL583952 0.89 STAT3 (0.41) HSD17B10KDM4EALDH1A1HPGDPMP22
SCHEMBL2845822 0.88 KCNH2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL585355 0.88 KCNH2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL2838588 0.82 ADRB2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL584972 0.82 ADRB2 (0.46) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL585403 0.79 GSK3B (0.41) HSD17B10KDM4EALDH1A1HPGDLMNA
SCHEMBL2837867 0.79 GSK3B (0.41) HSD17B10KDM4EALDH1A1HPGDLMNA

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