SCHEMBL9830898

SCHEMBL9830898

CCOC(=O)CCN(CC(=O)OCC)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 2/20 0.55
PPARG P37231 1/20 0.46
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL9829986 0.92 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1KDM4EPPARG
SCHEMBL9831770 0.86 PPARG (0.50) ALDH1A1KMT2AMEN1KDM4EPPARG
SCHEMBL9831443 0.85 PPARG (0.50) ALDH1A1KMT2AMEN1KDM4EPPARG
SCHEMBL9829879 0.81 SMN1; SMN2 (0.43) PPARGCYP1A2SMN1; SMN2
SCHEMBL9832767 0.81 PPARG (0.62) ALDH1A1KMT2APPARGMAPTHPGD
SCHEMBL9830195 0.79 KMT2A (0.52) ALDH1A1KMT2AMEN1KDM4ESCN1A
SCHEMBL9830030 0.79 SMN1; SMN2 (0.41) ALDH1A1KMT2AMEN1PPARGCYP3A4
SCHEMBL9830602 0.79 SMN1; SMN2 (0.41) KMT2AMEN1PPARGCYP1A2HPGD
SCHEMBL10688503 0.79 SMN1; SMN2 (0.49) ALDH1A1KMT2AMEN1KDM4EPPARG
SCHEMBL9830144 0.78 PLA2G2A (0.46) ALDH1A1KMT2AMEN1KDM4EPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed