SCHEMBL8090772

SCHEMBL8090772

CCOC(=O)c1ccc(Oc2cc(NCP(=O)(OCC)OCC)c(N)cc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.41
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
STS P08842 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8604509 0.86 L3MBTL1 (0.41) MAPTLMNAKDM4EMAPK1ATM
SCHEMBL8092253 0.86 USP10 (0.48) PTGER4GAAMAPTLMNAKDM4E
SCHEMBL8098268 0.85 SMN1; SMN2 (0.35) MAPTLMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL8090776 0.84 PTGER4 (0.38) PTGER4ICAM1SELEGAAMAPT
SCHEMBL8098784 0.82 NPSR1 (0.39) ICAM1SELEGAAMAPTLMNA
SCHEMBL8602899 0.76 ALDH1A1 (0.39) PTGER4KDM4EKMT2APOLBL3MBTL1
SCHEMBL8083938 0.76 RHOC (0.35) GAAMAPTLMNAKDM4EMAPK1
SCHEMBL8083649 0.74 S1PR1 (0.37) MAPTMEN1KMT2AHDAC1
SCHEMBL8098486 0.73 AR (0.35) PTGER4KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL8083711 0.73 FFAR4 (0.36) MAPTLMNAKDM4EMEN1KMT2A

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 3 patents. 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
EP-0828746-A1 NOVEL QUINOXALINE DIONE DERIVATIVES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
WO-1996037500-A1 NOVEL QUINOXALINE DIONE DERIVATIVES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed