SCHEMBL13883003

SCHEMBL13883003

CC1(C)O[C@@]23CCC4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5CC(O)[C@@]4(O)C2=CC(=O)[C@@H]1O3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
PTPN1 P18031 4/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATP2A2 P16615 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATP2A3 Q93084 1/20 0.43
PTPRS Q13332 1/20 0.42
PTPN2 P17706 2/20 0.41
KIF11 P52732 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
GPR18 Q14330 2/20 0.37

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
SCHEMBL13882804 1.00 PGR (0.46) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13882809 1.00 PGR (0.46) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13882665 1.00 PGR (0.46) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13882787 1.00 PGR (0.46) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13882950 1.00 PGR (0.46) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13883166 0.90 PGR (0.46) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13883164 0.90 PTPN1 (0.37) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13883168 0.90 PTPN1 (0.36) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13882768 0.90 PTPN1 (0.36) PGRPTPN1MAPTMEN1KMT2A
SCHEMBL13882824 0.89 PTPN1 (0.36) PGRPTPN1MAPTMEN1KMT2A

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