SCHEMBL11709705

SCHEMBL11709705

CCOC(=O)Cc1cc(Cl)c(Cl)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
ALOX5 P09917 1/20 0.44
NR4A1 P22736 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
DPP4 P27487 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 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
SCHEMBL24690441 0.87 MAPT (0.47) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL3227920 0.82 POLB (0.49) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL3457181 0.81 ALDH1A1 (0.70) ALDH1A1GAANR4A1KMT2AMEN1
SCHEMBL3227905 0.78 ALDH1A1 (0.52) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL11747645 0.77 KMT2A (0.41) ALDH1A1GAAALOX5NR4A1KMT2A
SCHEMBL908271 0.76 ABL1 (0.59) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL6367851 0.75 MAPT (0.51) GAAKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL31594790 0.75 ALDH1A1 (0.49) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL1008089 0.75 ALDH1A1 (0.49) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL11217956 0.75 ALOX5 (0.52) ALDH1A1GAAALOX5KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003927-A DIURETICS MERCK & CO., INC. (US) 1977-01-18 US disclosed