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Prednicarbate

Prednicarbate

SCHEMBL6470591

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Prednicarbate. 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 9/20 0.57
▸ HIF1A Q16665 8/20 0.57
▸ PGR P06401 8/20 0.57
▸ LMNA P02545 8/20 0.57
▸ CYP3A4 P08684 6/20 0.57
▸ USP2 O75604 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ AR P10275 3/20 0.54
▸ ABCB11 O95342 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
Prednicarbate SCHEMBL15568597 0.86 NR3C1 (0.77) NR3C1HIF1APGRLMNACYP3A4
Difluprednate SCHEMBL4959751 0.85 LMNA (0.66) NR3C1HIF1APGRLMNACYP3A4
Fluocinolone Acetonide SCHEMBL8450831 0.83 NR3C1 (0.77) NR3C1HIF1APGRLMNACYP3A4
Fluocinonide SCHEMBL5664031 0.83 NR3C1 (0.62) NR3C1HIF1APGRLMNACYP3A4
Prednicarbate SCHEMBL18005614 0.83 PGR (0.63) NR3C1HIF1APGRLMNACYP3A4
Fluocinonide SCHEMBL616754 0.82 NR3C1 (0.74) NR3C1HIF1APGRLMNACYP3A4
Fluocinolone Acetonide SCHEMBL15568127 0.81 HIF1A (0.57) NR3C1HIF1APGRLMNACYP3A4
Difluprednate SCHEMBL13724380 0.81 HIF1A (0.71) NR3C1HIF1APGRLMNACYP3A4
Difluprednate SCHEMBL28142821 0.81 HIF1A (0.71) NR3C1HIF1APGRLMNACYP3A4
Fluocinonide SCHEMBL15568196 0.81 HIF1A (0.58) NR3C1HIF1APGRLMNACYP3A4

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
WO-2005037323-A2 USE OF GRO TO TREAT OR PREVENT INFLAMMATION UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2005-04-28 — — WO claimed
US-20050187176-A1 inflammation; G-rich oligonucleotides (GROs) interfere with the signaling pathway by blocking NF kappa B essential modulator (NEMO) function of inducible I kappa B kinase (IKK); rheumatoid arthritis, asthma, gastrointestinal tract disease, psoriasis, and atherosclerosis UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2005-08-25 — — US disclosed
WO-2005037323-A2 USE OF GRO TO TREAT OR PREVENT INFLAMMATION UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2005-04-28 — — WO disclosed
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