SCHEMBL13883166

SCHEMBL13883166

C=C1C=C2[C@@]3(CC[C@]4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5C[C@H](O)[C@@]24O)O[C@@H]1C(C)(C)O3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
PTPN1 P18031 4/20 0.41
PTPRS Q13332 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATP2A2 P16615 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATP2A3 Q93084 1/20 0.38
KIF11 P52732 3/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
GPR18 Q14330 2/20 0.37
PTPN2 P17706 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13882950 0.90 PGR (0.46) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13882665 0.90 PGR (0.46) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13883003 0.90 PGR (0.46) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13882804 0.90 PGR (0.46) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13882809 0.90 PGR (0.46) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13882787 0.90 PGR (0.46) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13883065 0.83 PGR (0.47) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13883035 0.82 PGR (0.45) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13883164 0.81 PTPN1 (0.37) PGRPTPN1PTPRSMAPTMEN1
SCHEMBL13883168 0.80 PTPN1 (0.36) PGRPTPN1PTPRSMAPTMEN1

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-2009048559-A1 MAXI-K CHANNEL BLOCKERS AND METHODS OF USE MERCK & CO., INC. (US) 2009-04-16 WO disclosed