SCHEMBL9463263

SCHEMBL9463263

CC(C)c1cccc(C(C)C)c1NC(=O)CO[PH](=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
NLRP3 Q96P20 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SOAT1 P35610 3/20 0.50
SOAT2 O75908 2/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LPAR1 Q92633 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 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
SCHEMBL9843936 0.80 SMN1; SMN2 (0.77) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL9463623 0.80 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL9463095 0.77 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL28229524 0.77 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL9463141 0.76 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL2148218 0.76 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL3408925 0.76 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL190379 0.76 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1TDP1NLRP3
Benzene SCHEMBL9851028 0.74 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMEN1TDP1NLRP3
SCHEMBL9047310 0.74 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1TDP1NLRP3

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
US-5208224-A Phosphorus containing compounds as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed