Flunisolide

Flunisolide

SCHEMBL5187487

CC1(C)OC2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Flunisolide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 known ✓ P04150 6/20 1.00
CYP3A4 P08684 8/20 1.00
PGR P06401 7/20 1.00
LMNA P02545 6/20 1.00
ABCB11 O95342 4/20 1.00
HSD17B10 Q99714 3/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP2C19 P33261 1/20 1.00
HTR1A P08908 1/20 1.00
ADRA2A P08913 1/20 1.00
ADRA1A P35348 1/20 1.00
HIF1A Q16665 6/20 0.70
AR P10275 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
MAPT P10636 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPK1 P28482 1/20 0.64
NR1I2 O75469 1/20 0.53
ABCC3 O15438 1/20 0.53

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
Flunisolide SCHEMBL19681909 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL13602384 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL13026142 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL8810954 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL30994800 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL5493687 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL66051 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL13662143 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL4351 1.00 CYP3A4 (1.00) CYP3A4PGRNR3C1LMNAABCB11
Flunisolide SCHEMBL22527648 0.99 CYP3A4 (0.98) CYP3A4PGRNR3C1LMNAABCB11

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-20030092706-A1 Combination NYCOMED GMBH (DE) 2003-05-15 US claimed
US-20070270441-A1 Combination ALTANA PHARMA AG (DE) 2007-11-22 US disclosed
US-20030092706-A1 Combination NYCOMED GMBH (DE) 2003-05-15 US disclosed