SCHEMBL6187624

SCHEMBL6187624

CCCc1ccc(C(=O)OC)c(CCC)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CFTR P13569 1/20 0.36
ABL1 P00519 1/20 0.36
PRKCI P41743 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL2206844 0.86 PRKCI (0.40) ALDH1A1LMNAMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL3355963 0.84 PRKCI (0.39) ALDH1A1LMNAMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL3352601 0.84 PRKCI (0.39) ALDH1A1LMNAMEN1KMT2AHSD17B10
SCHEMBL5349926 0.83 PRKCI (0.38) PRKCICA12PPARA
Acetic Acid SCHEMBL6139766 0.82 PRKCI (0.41) ALDH1A1LMNAMEN1KMT2AHSD17B10
Formamide SCHEMBL6342969 0.81 PRKCI (0.36) ALDH1A1LMNAMEN1KMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL6647805 0.77 PRKCI (0.34) ALDH1A1L3MBTL1MEN1KMT2AHSD17B10
SCHEMBL7123990 0.76 PRKCI (0.40) ALDH1A1LMNAMEN1KMT2AHSD17B10
SCHEMBL8922421 0.74 PRKCI (0.53) ALDH1A1LMNAATMMEN1KMT2A
SCHEMBL3909320 0.74 CTSD (0.41) ALDH1A1LMNAATML3MBTL1MEN1

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-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed