Difluprednate

Difluprednate

SCHEMBL4959751

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[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

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Difluprednate. 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 7/20 0.60
▸ LMNA P02545 9/20 0.66
▸ HIF1A Q16665 7/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.66
▸ PGR P06401 7/20 0.60
▸ AR P10275 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CYP3A4 P08684 6/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ABCB11 O95342 2/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ ADRA1A P35348 1/20 0.52

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
Fluocinonide SCHEMBL616754 0.90 NR3C1 (0.74) LMNAHIF1ANPSR1NR3C1PGR
Fluocinonide SCHEMBL15568196 0.87 HIF1A (0.58) LMNAHIF1ANPSR1NR3C1PGR
Fluocinolone Acetonide SCHEMBL8450831 0.86 NR3C1 (0.77) LMNAHIF1ANPSR1NR3C1PGR
Amcinonide SCHEMBL22684943 0.85 NR3C1 (0.64) LMNAHIF1ANPSR1NR3C1PGR
Difluprednate SCHEMBL28142821 0.85 HIF1A (0.71) LMNAHIF1ANPSR1NR3C1PGR
Difluprednate SCHEMBL13724380 0.85 HIF1A (0.71) LMNAHIF1ANPSR1NR3C1PGR
Prednicarbate SCHEMBL6470591 0.85 NR3C1 (0.57) LMNAHIF1ANPSR1NR3C1PGR
Fluocinolone Acetonide SCHEMBL15568127 0.83 HIF1A (0.57) LMNAHIF1ANPSR1NR3C1PGR
Betamethasone Valerate SCHEMBL8449742 0.83 NR3C1 (0.64) LMNAHIF1ANR3C1PGRAR
Difluprednate SCHEMBL23343379 0.81 HIF1A (1.00) LMNAHIF1ANPSR1NR3C1PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216106-B2 Device and method for the delivery of drugs for the treatment of posterior segment disease DIRECTCONTACT LLC (US) 2015-12-22 — — US disclosed
US-20080318843-A1 Device and Method for the Delivery of Drugs for the Treatment of Posterior Segment Disease DIRECTCONTACT LLC (US) 2008-12-25 — — US disclosed
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