SCHEMBL5169684

SCHEMBL5169684

O=C(O)O[C@@H]1COc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HPGD P15428 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5172603 1.00 HTT (0.50) HTTHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL9800594 1.00 HTT (0.50) HTTHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL27374222 0.85 MTNR1A (0.50) HTTHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL11030934 0.78 NISCH (0.50) HTTHPGDALDH1A1SMN1; SMN2MTNR1A
SCHEMBL21359684 0.77 NISCH (0.47) HTTHPGDALDH1A1SMN1; SMN2CYP2C19
SCHEMBL14775665 0.76 CYP19A1 (0.42) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14775689 0.76 NPC1 (0.44) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11110146 0.76 HPGD (0.48) HPGDSMN1; SMN2NISCHTSHRHSD17B10
SCHEMBL10595452 0.75 ADRA1D (0.45) HTTHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL11379669 0.74 MTNR1A (0.47) HTTHPGDALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299342-B1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-05-02 EP disclosed
EP-1299342-A1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2003-04-09 EP disclosed
WO-2002004399-A1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2002-01-17 WO disclosed