SCHEMBL19257733

SCHEMBL19257733

CC(=O)c1ccc(OCCCCCN)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.83
L3MBTL1 Q9Y468 1/20 0.79
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
MAOB P27338 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PLA2G4B P0C869 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
F2 P00734 1/20 0.51
PLAU P00749 1/20 0.51
PRMT1 Q99873 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51

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
Hydrochloric Acid SCHEMBL19209319 0.98 GAA (0.80) GAAL3MBTL1ITGB3ITGA2BMAOB
SCHEMBL8488482 0.98 L3MBTL1 (0.82) GAAL3MBTL1ITGB3ITGA2BMAOB
SCHEMBL7738999 0.95 GAA (0.75) GAAL3MBTL1ITGB3ITGA2BMAOB
SCHEMBL26241763 0.93 L3MBTL1 (0.79) GAAL3MBTL1MAOBMAPTALDH1A1
SCHEMBL18868405 0.89 L3MBTL1 (1.00) GAAL3MBTL1MAOBMAPTALDH1A1
SCHEMBL757971 0.87 L3MBTL1 (0.75) GAAL3MBTL1MAOBMAPTALDH1A1
SCHEMBL24935612 0.84 GAA (0.86) GAAL3MBTL1MAOBMAPTALDH1A1
SCHEMBL10497781 0.84 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL2039230 0.84 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL10499017 0.84 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B

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
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed