SCHEMBL7686590

SCHEMBL7686590

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NR3C1 P04150 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
MAPK8 P45983 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPOR P19235 1/20 0.33
EGLN2 Q96KS0 2/20 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
SCHEMBL7688229 0.95 MEN1 (0.35) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7692452 0.93 ADRB1 (0.34) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL7692118 0.92 AURKA (0.37) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7687331 0.90 AURKA (0.39) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7694610 0.88 RPS6KB1 (0.41) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7693500 0.88 ALDH1A1 (0.35) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7687663 0.87 ALDH1A1 (0.37) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7694215 0.85 POLB (0.38) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL7705522 0.85 ADRB3 (0.40) LMNAALDH1A1ADRB1ADRB3HPGD
SCHEMBL7694156 0.84 MAOB (0.38) LMNAMEN1KMT2APOLBALDH1A1

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