SCHEMBL6554335

SCHEMBL6554335

COc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C(Oc3ccccc3)C(C)O)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PDE4D Q08499 7/20 0.44
TAS2R14 Q9NYV8 2/20 0.43
SFRP1 Q8N474 1/20 0.42
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6552488 0.85 TAS2R14 (0.46) TAS2R14
SCHEMBL6541428 0.78 L3MBTL1 (0.58) L3MBTL1ALDH1A1PDE4DTAS2R14PDE4A
SCHEMBL6540945 0.77 ALDH1A1 (0.55) L3MBTL1ALDH1A1POLBTSHRMAPK1
SCHEMBL6540485 0.77 ALDH1A1 (0.55) L3MBTL1ALDH1A1POLBTSHRMAPK1
SCHEMBL6552584 0.75 ADRB3 (0.43) TAS2R14TSHRTP53MAPT
SCHEMBL1969501 0.73 ALDH1A1 (0.60) L3MBTL1ALDH1A1PDE4DSMN1; SMN2
SCHEMBL6027885 0.72 SMN1; SMN2 (0.46) ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL6540926 0.72 ALDH1A1 (0.53) L3MBTL1ALDH1A1POLBTSHRMAPK1
SCHEMBL6540471 0.71 L3MBTL1 (0.50) L3MBTL1ALDH1A1PDE4DTAS2R14POLB
SCHEMBL6985420 0.70 PPARG (0.48) L3MBTL1ALDH1A1POLBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed