SCHEMBL9829971

SCHEMBL9829971

CCOC(=O)C1CN(CC2CCCCC2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
TLR4 O00206 1/20 0.40
CHRM2 P08172 6/20 0.39
CHRM4 P08173 6/20 0.39
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 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
SCHEMBL6583721 0.87 ALDH1A1 (0.40) MAPTLMNATLR4CHRM2CHRM4
Hydrochloric Acid SCHEMBL10945868 0.86 ALDH1A1 (0.40) MAPTLMNATLR4CHRM2CHRM4
SCHEMBL9831234 0.81 CHRM2 (0.48) MAPTTLR4CHRM2CHRM4CHRM5
SCHEMBL29896656 0.80 MAPT (0.42) MAPTTLR4CHRM2CHRM4CHRM5
SCHEMBL9829537 0.79 ALDH1A1 (0.48) MAPTLMNATLR4CHRM2CHRM4
SCHEMBL9833333 0.78 ALDH1A1 (0.49) MAPTTLR4ALDH1A1MEN1KMT2A
SCHEMBL9831077 0.76 ALDH1A1 (0.47) MAPTTLR4ALDH1A1MEN1KMT2A
SCHEMBL9831742 0.76 ALDH1A1 (0.52) MAPTTLR4CHRM2CHRM4CHRM5
SCHEMBL9830385 0.73 MAPT (0.49) MAPTLMNATLR4CHRM2CHRM4
SCHEMBL15325151 0.73 TLR4 (0.42) MAPTLMNATLR4ALDH1A1MEN1

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