SCHEMBL12666830

SCHEMBL12666830

COC(=O)C(CC(C)C)NCl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.51
TAS1R1 Q7RTX1 9/20 0.51
NOS3 P29474 4/20 0.48
NOS1 P29475 4/20 0.48
NOS2 P35228 4/20 0.48
CYP2C9 P11712 1/20 0.46
NPR3 P17342 1/20 0.46
CYP2C19 P33261 1/20 0.46
BIRC2 Q13490 1/20 0.45
POLB P06746 1/20 0.45
FOLH1 Q04609 1/20 0.44

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
SCHEMBL13071694 1.00 TAS1R3 (0.51) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL8299773 1.00 TAS1R3 (0.51) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL10421717 0.82 TAS1R3 (0.50) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL1666836 0.82 TAS1R3 (0.37) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL8294718 0.81 TAS1R3 (0.36) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL10210577 0.80 NPSR1 (0.50) CYP2C9NPR3CYP2C19POLB
SCHEMBL1992438 0.80 TAS1R3 (0.36) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL12627973 0.80 NPSR1 (0.50) CYP2C9NPR3CYP2C19POLB
SCHEMBL14609391 0.80 TAS1R3 (0.49) TAS1R3TAS1R1NOS3NOS1NOS2
SCHEMBL8297645 0.80 TAS1R3 (0.49) TAS1R3TAS1R1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637705-B2 Amphiphilic oxalamide organogelators designed for gelation of organic solvents, water and hydrocarbon commercial fuels RUDJER BOSKOVIC INSTITUTE (HR) 2014-01-28 US disclosed
EP-2139910-B1 METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT CENTRE NAT RECH SCIENT (FR) 2011-05-25 EP disclosed
WO-2008125418-A2 METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-23 WO disclosed