SCHEMBL7688229

SCHEMBL7688229

O=C(NCCO)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MAPK8 P45983 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL7686590 0.95 LMNA (0.34) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7692118 0.93 AURKA (0.37) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7687331 0.91 AURKA (0.39) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7692452 0.91 ADRB1 (0.34) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL7705522 0.90 ADRB3 (0.40) LMNAALDH1A1ADRB1ADRB3HPGD
SCHEMBL7694610 0.89 RPS6KB1 (0.41) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7693500 0.89 ALDH1A1 (0.35) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL7687663 0.88 ALDH1A1 (0.37) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7692587 0.86 ADRB3 (0.38) ALDH1A1GAAADRB1ADRB3HPGD
SCHEMBL7692585 0.86 ADRB3 (0.38) ALDH1A1GAAADRB1ADRB3HPGD

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed