SCHEMBL9831965

SCHEMBL9831965

CCOC(=O)C1CN(c2cccc(OC)c2OC)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 1/20 0.37

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
SCHEMBL9831628 0.90 HPGD (0.56) HPGDKDM4EALDH1A1PKMHSD17B10
SCHEMBL9832074 0.81 KMT2A (0.38) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9830727 0.81 KMT2A (0.42) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL9830192 0.81 MAPT (0.54) KDM4EALDH1A1PKMHSD17B10LMNA
SCHEMBL9830654 0.81 ALDH1A1 (0.41) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL10408118 0.80 KDM4E (0.43) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9829833 0.80 ALDH1A1 (0.47) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL9831135 0.80 ALDH1A1 (0.47) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL9829579 0.79 ALDH1A1 (0.46) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL9832166 0.79 KDM4E (0.40) HPGDKDM4EALDH1A1HSD17B10MAPT

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