SCHEMBL8098486

SCHEMBL8098486

CCOP(=O)(CNc1cc(OCCOCCOC)c(C(F)(F)F)cc1N)OCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
S1PR1 P21453 1/20 0.31
CFTR P13569 1/20 0.31
PTGER4 P35408 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL8098731 0.84 CYP1A2 (0.34) HTTKMT2ACFTR
SCHEMBL8091901 0.84 LMNA (0.40) ARALDH1A1KDM4EKMT2AHPGD
SCHEMBL8083938 0.84 RHOC (0.35) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL8083649 0.80 S1PR1 (0.37) KMT2AS1PR1HDAC3HDAC1HDAC2
SCHEMBL8604509 0.79 L3MBTL1 (0.41) ARKDM4E
SCHEMBL8602899 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EKMT2AS1PR1
SCHEMBL8098268 0.78 SMN1; SMN2 (0.35) ARKDM4EKMT2ASMN1; SMN2HDAC3
SCHEMBL8098784 0.75 NPSR1 (0.39) ALDH1A1KDM4EKMT2A
SCHEMBL8083711 0.73 FFAR4 (0.36) ARALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL8118357 0.73 NR2E1 (0.35) CFTR

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