SCHEMBL9831086

SCHEMBL9831086

CCOC(=O)c1cc(OC)c(CN2CCC(=O)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KCNK3 O14649 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR4 Q13639 1/20 0.40
ABCB1 P08183 1/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9829914 0.83 HSD17B2 (0.51) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL9830524 0.81 POLB (0.63) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL9829790 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAAKDM4E
SCHEMBL9830759 0.79 LMNA (0.47) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL9829654 0.79 KMT2A (0.45) KCNK3ALDH1A1KMT2AMEN1GAA
SCHEMBL2900687 0.75 KMT2A (0.65) POLBKCNK3ALDH1A1KMT2AGAA
SCHEMBL9829764 0.74 MEN1 (0.45) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL9829064 0.74 ALDH1A1 (0.43) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL9831799 0.73 MAPT (0.49) POLBKCNK3ALDH1A1KMT2AMEN1
SCHEMBL9831615 0.71 TACR1 (0.57) POLBALDH1A1KMT2AMEN1KDM4E

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 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