SCHEMBL9830725

SCHEMBL9830725

CCOC(=O)C1CN(c2ccc(OC)c(OC)c2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PDE4B Q07343 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
BRD9 Q9H8M2 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL3548031 0.88 MEN1 (0.45) CA12CA1CA2CA9LMNA
SCHEMBL10408118 0.87 KDM4E (0.43) CA12CA1CA2CA9MAPT
SCHEMBL9831584 0.84 LGMN (0.40) CA12CA1CA2CA9MAPT
SCHEMBL9829590 0.84 ALDH1A1 (0.41) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL9830632 0.84 ALDH1A1 (0.50) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL9832750 0.84 ALDH1A1 (0.48) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL9831793 0.83 ALDH1A1 (0.47) LMNAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL861735 0.82 ALDH1A1 (0.45) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL9829380 0.82 ALDH1A1 (0.45) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL9833258 0.82 MAPT (0.55) MAPTKMT2AALDH1A1MEN1KDM4E

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 5 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
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 disclosed
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 disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed