SCHEMBL7557787

SCHEMBL7557787

C=CC(=O)NC(C)(C)CO[PH](=O)OCC(C)(C)NC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL16805865 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4441062 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28099277 0.79 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL17522061 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4591765 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15303843 0.75 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL932381 0.75 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19860763 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Phosphonic Acid SCHEMBL2560198 0.74 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2111113 0.74 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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
WO-2002004586-A1 A PARTICLE PERFUME DELIVERY SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2002-01-17 WO disclosed