Diflucortolone 21-Valerate

Diflucortolone 21-Valerate

SCHEMBL4454848

CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.[W]

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.72
NR1I2 O75469 3/20 0.72
HTR2B P41595 1/20 0.72
HIF1A Q16665 9/20 0.62
AR P10275 8/20 0.62
CYP3A4 P08684 5/20 0.62
ADORA3 P0DMS8 3/20 0.62
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR3C1 P04150 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
NR3C2 P08235 1/20 0.52
CHRM1 P11229 2/20 0.52
ABCB11 O95342 2/20 0.52
ADRA1A P35348 1/20 0.52
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51

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
Diflucortolone 21-Valerate SCHEMBL13157 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL1021717 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL11243011 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL9388448 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL13158 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL3015 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL2790985 0.99 PGR (0.73) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL18113135 0.98 PGR (0.72) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL2353254 0.98 PGR (0.72) PGRNR1I2HTR2BHIF1AAR
Diflucortolone 21-Valerate SCHEMBL20571795 0.98 PGR (0.72) PGRNR1I2HTR2BHIF1AAR

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-20090312646-A1 OPTICAL DETECTION OF SEIZURE, A PRE-SEIZURE STATE, AND CEREBRAL EDEMA AND OPTICAL FIBER DETECTION OF THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-17 US disclosed