SCHEMBL9830282

SCHEMBL9830282

CCOC(=O)CCN(CC(=O)OCC)c1cccc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.39
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9831732 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14156362 0.82 TDP1 (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9831313 0.81 TDP1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9829450 0.79 NLRP3 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5465593 0.78 TDP1 (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9830898 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9833033 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9833231 0.78 PPARG (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9831403 0.77 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9831443 0.74 PPARG (0.50) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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