SCHEMBL27415461

SCHEMBL27415461

C/C(=C\CCCC(P(=O)(O)O)S(=O)(=O)O)COc1cccc(C)c1.[KH].[KH].[KH]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 5/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
FDPS P14324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8623006 0.99 KMT2A (0.43) KMT2AKDM4EALDH1A1TDP1MEN1
SCHEMBL8623000 0.99 KMT2A (0.43) KMT2AKDM4EALDH1A1TDP1MEN1
SCHEMBL27419578 0.87 MAPT (0.36) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL8618608 0.87 BTN3A1 (0.37) KMT2AMEN1
SCHEMBL8620223 0.86 MAPT (0.36) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL8620225 0.86 MAPT (0.36) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL8624770 0.85 PPARA (0.42)
SCHEMBL8624765 0.85 PPARA (0.42)
SCHEMBL27395211 0.80 FDPS (0.36) FDPS
SCHEMBL8618638 0.80 NPSR1 (0.40) KMT2AALDH1A1TDP1MEN1MAPT

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
CN-1089614-A Alpha-phosphonosulfonate squalene synthetase inhibitors and method SQUIBB & SONS INC (US) 1994-07-20 CN disclosed