SCHEMBL2230826

SCHEMBL2230826

CCOC(=O)[C@@H]1[C@@H]2O[C@@H]2CN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTR2C P28335 1/20 0.43
AGTR2 P50052 1/20 0.42
ELANE P08246 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2226858 1.00 POLB (0.43) POLBHTR2CAGTR2ELANEMEN1
SCHEMBL16648020 1.00 POLB (0.43) POLBHTR2CAGTR2ELANEMEN1
SCHEMBL2226855 1.00 POLB (0.43) POLBHTR2CAGTR2ELANEMEN1
SCHEMBL14762350 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A
SCHEMBL15541775 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A
SCHEMBL23485200 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A
SCHEMBL13967448 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A
SCHEMBL30485163 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A
SCHEMBL12480645 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A
SCHEMBL16520569 0.93 AGTR2 (0.45) HTR2CAGTR2ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed