SCHEMBL11210656

SCHEMBL11210656

CCOC(C=O)Cc1ccc(C#N)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
AR P10275 3/20 0.37
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
PLA2G4A P47712 1/20 0.35
LTB4R Q15722 1/20 0.35
SLC6A4 P31645 1/20 0.34
PTGES2 Q9H7Z7 2/20 0.34
BRPF1 P55201 2/20 0.33
BRD1 O95696 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
IDH1 O75874 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL11197021 0.80 AR (0.40) TRPV4ARPLA2G4ALTB4RSLC6A4
SCHEMBL1855982 0.77 AR (0.49) TRPV4ARUSP2MAPTPLA2G4A
SCHEMBL2725970 0.75 AR (0.44) TRPV4ARUSP2MAPTPLA2G4A
SCHEMBL7667004 0.73 AR (0.47) TRPV4ARUSP2MAPTPLA2G4A
SCHEMBL6119537 0.72 ALDH1A1 (0.41) TRPV4ARUSP2MAPTPLA2G4A
SCHEMBL2724187 0.71 KCNH2 (0.45) ARPLA2G4ALTB4RSLC6A4
SCHEMBL13098166 0.71 AR (0.43) TRPV4ARSLC6A4
SCHEMBL21170173 0.70 AR (0.40) ARPLA2G4ALTB4RSLC6A4PTGES2
SCHEMBL10944609 0.70 AR (0.49) TRPV4ARUSP2MAPTSLC6A4
SCHEMBL22481567 0.70 AR (0.47) TRPV4ARMAPTSLC6A4PTGES2

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
EP-0068590-A1 Novel urea derivatives THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed