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Sugi Predict / Compounds / Corticosterone

Corticosterone

Corticosterone

SCHEMBL5662984

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PGR

The experimentally established mechanism targets of Corticosterone. 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
▸ PGR known ✓ P06401 3/20 0.67
▸ LMNA P02545 9/20 0.78
▸ CYP3A4 P08684 9/20 0.78
▸ SMN1; SMN2 Q16637 8/20 0.78
▸ MAPT P10636 6/20 0.78
▸ SHBG P04278 6/20 0.78
▸ SERPINA6 P08185 6/20 0.78
▸ MAPK1 P28482 5/20 0.78
▸ TSHR P16473 5/20 0.78
▸ HSD17B10 Q99714 5/20 0.78
▸ HIF1A Q16665 4/20 0.78
▸ NR3C2 P08235 4/20 0.78
▸ SIGMAR1 Q99720 4/20 0.78
▸ CYP2C9 P11712 3/20 0.78
▸ SLC22A2 O15244 2/20 0.78
▸ SLC22A1 O15245 2/20 0.78
▸ SLC22A3 O75751 2/20 0.78
▸ THPO P40225 2/20 0.78
▸ BLM P54132 1/20 0.78
▸ NFKB1 P19838 1/20 0.78

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
Corticosterone SCHEMBL9264007 0.96 LMNA (0.84) LMNACYP3A4SMN1; SMN2MAPTSHBG
Corticosterone SCHEMBL5323007 0.93 SMN1; SMN2 (0.89) LMNACYP3A4SMN1; SMN2MAPTSHBG
Hydrocortisone SCHEMBL5665147 0.92 HIF1A (0.68) LMNACYP3A4SMN1; SMN2MAPTSHBG
Hydroxyprogesterone SCHEMBL5664516 0.90 SMN1; SMN2 (0.71) LMNACYP3A4SMN1; SMN2MAPTSHBG
Epicorticosterone SCHEMBL15920519 0.88 SMN1; SMN2 (1.00) LMNACYP3A4SMN1; SMN2MAPTSHBG
Desoxycorticosterone SCHEMBL10593143 0.88 LMNA (0.92) LMNACYP3A4SMN1; SMN2MAPTSHBG
Corticosterone SCHEMBL5669349 0.88 SMN1; SMN2 (1.00) LMNACYP3A4SMN1; SMN2MAPTSHBG
Epicorticosterone SCHEMBL20058459 0.88 SMN1; SMN2 (1.00) LMNACYP3A4SMN1; SMN2MAPTSHBG
Epicorticosterone SCHEMBL21168995 0.88 SMN1; SMN2 (1.00) LMNACYP3A4SMN1; SMN2MAPTSHBG
Corticosterone SCHEMBL22612 0.88 SMN1; SMN2 (1.00) LMNACYP3A4SMN1; SMN2MAPTSHBG

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
EP-1404717-A4 KINETIC ASSAY HORTICULTURE & FOOD RES INST (NZ) 2006-03-08 — — EP disclosed
EP-1404717-A1 KINETIC ASSAY The Horticulture and Food Research Institute of New Zealand Limited (NZ) 2004-04-07 — — EP disclosed
WO-2002092631-A1 KINETIC ASSAY THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LIMITED (NZ) 2002-11-21 — — WO disclosed