SCHEMBL6131793

SCHEMBL6131793

COc1cc(C(C)N2CCN(c3ccccc3OC)CC2)ccc1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
UTS2R Q9UKP6 4/20 0.54
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL6131801 0.92 KMT2A (0.52) GAAUTS2RPOLBLMNAALDH1A1
SCHEMBL6131934 0.91 UTS2R (0.52) GAAUTS2R
SCHEMBL6131867 0.91 UTS2R (0.52) GAAUTS2RMAPK1
SCHEMBL6131776 0.90 UTS2R (0.52) GAAUTS2RLMNAALDH1A1
SCHEMBL6132081 0.88 UTS2R (0.52) GAAUTS2RPOLBLMNAALDH1A1
SCHEMBL6131818 0.88 RBP4 (0.51) GAAUTS2R
SCHEMBL6131939 0.82 GAA (0.55) GAAUTS2RPOLBLMNAALDH1A1
Water SCHEMBL7688250 0.81 GAA (0.54) GAAUTS2RPOLBLMNAALDH1A1
Water SCHEMBL7688253 0.81 GAA (0.54) GAAUTS2RPOLBLMNAALDH1A1
SCHEMBL6131997 0.81 KMT2A (0.50) UTS2RPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed