SCHEMBL7527009

SCHEMBL7527009

CC(O)C(NC(CO)Cc1ccc(NC(N)=O)cc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.48
ADRB1 P08588 8/20 0.48
GLA P06280 1/20 0.46
POLB P06746 1/20 0.42
NPY5R Q15761 4/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7768347 0.76 MAPT (0.42) POLBNPY5RMEN1ALDH1A1LMNA
SCHEMBL7610407 0.76 GLA (0.48) GLAPOLBNPY5RMEN1ALDH1A1
SCHEMBL7609912 0.75 GLA (0.50) GLAPOLBNPY5RMEN1ALDH1A1
SCHEMBL6538711 0.74 ADRB3 (0.82) ADRB3ADRB1
SCHEMBL7042491 0.69 GAA (0.41) ADRB3ADRB1MEN1ALDH1A1LMNA
SCHEMBL10160174 0.68 GAA (0.56) ADRB3GLAALDH1A1LMNAGAA
SCHEMBL9794603 0.67 GLA (0.63) GLAPOLBMEN1ALDH1A1LMNA
SCHEMBL10345923 0.67 LMNA (0.41) ADRB3ADRB1POLBMEN1ALDH1A1
SCHEMBL5188506 0.65 GLA (1.00) GLAMAPK1MEN1ALDH1A1LMNA
SCHEMBL6538997 0.65 ADRB3 (0.82) ADRB3ADRB1MEN1KMT2A

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-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed