SCHEMBL8090776

SCHEMBL8090776

CCOC(=O)c1ccc(Oc2cc(NCP(=O)(O)OC(C)CC)c(N)cc2C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.38
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL8092259 0.87 USP10 (0.44) PTGER4GAAMAPTKDM4EMEN1
SCHEMBL8098272 0.87 UBE2M (0.34) EPHX2PPARGPOLBHPGD
SCHEMBL8090772 0.84 PTGER4 (0.41) PTGER4ICAM1SELEGAAMAPT
SCHEMBL8098790 0.84 NPSR1 (0.36) ICAM1SELEGAAMAPTKDM4E
SCHEMBL8083940 0.78 RHOC (0.36) PPARGMAPTKDM4EMEN1KMT2A
SCHEMBL8083652 0.77 PPARG (0.36) PPARGMAPTMEN1KMT2A
SCHEMBL8083716 0.76 AKR1C3 (0.37) EPHX2PPARGMAPTMAPK1KDM4E
SCHEMBL8098738 0.75 CYP1A2 (0.33) CYP1A2CYP3A4MAOA
SCHEMBL8083684 0.73 SERPINE1 (0.40) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL8092253 0.71 USP10 (0.48) PTGER4GAAMAPTKDM4EMEN1

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-6136805-A Quinoxaline dione derivatives, their production and their use in medicaments SCNERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed