SCHEMBL13190877

SCHEMBL13190877

O=C(I)C1COc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NISCH Q9Y2I1 1/20 0.59
POLB P06746 3/20 0.56
HTT P42858 2/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX15 P16050 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL3568567 0.85 HPGD (0.63) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL29437007 0.83 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL2977327 0.83 NISCH (0.71) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL1567597 0.83 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL229498 0.83 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL30946854 0.83 NISCH (0.71) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL1300333 0.83 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL566636 0.83 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHPOLB
SCHEMBL16526972 0.81 NISCH (0.59) HPGDALDH1A1SMN1; SMN2NISCHPOLB
Hydrochloric Acid SCHEMBL3885955 0.81 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHPOLB

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-2010109185-A2 PROCESS FOR THE PREPARATION OF DOXAZOSIN AND SALTS THEREOF CIPLA LIMITED (IN) 2010-09-30 WO disclosed