Hydrocortisone Butyrate

Hydrocortisone Butyrate

SCHEMBL6835762

CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Hydrocortisone Butyrate. 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 3/20 0.91
NR3C2 P08235 8/20 0.91
PGR P06401 4/20 0.91
HIF1A Q16665 10/20 0.84
KMT2A Q03164 2/20 0.84
SMN1; SMN2 Q16637 3/20 0.77
CYP2C19 P33261 2/20 0.77
HSD17B10 Q99714 2/20 0.77
MAPT P10636 2/20 0.77
SERPINA6 P08185 2/20 0.77
NFKB1 P19838 2/20 0.77
SHBG P04278 1/20 0.77
CYP3A4 P08684 1/20 0.77
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
AR P10275 2/20 0.66
CHRM1 P11229 2/20 0.66
LMNA P02545 2/20 0.64
PMP22 Q01453 1/20 0.63
TSHR P16473 1/20 0.63

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
Hydrocortisone Butyrate SCHEMBL9838663 1.00 NR3C2 (0.91) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14339600 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL11209085 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL21111521 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14473210 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14936050 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL4695 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL111478 0.95 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL8397588 0.94 NR3C2 (0.97) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL1535101 0.94 NR3C2 (0.82) NR3C2PGRNR3C1HIF1AKMT2A

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-3532033-A1 PHARMACEUTICAL HYDROCORTISONE SOLUTION FOR AN INJECTION DEVICE Crossject (FR) 2019-09-04 EP claimed
US-6753164-B2 FOR DIAGNOSIS, PROPHYLAXIS AND THERAPY OF CANCER, INFLAMMATION, NEUROLOGICAL DISORDERS AND IMMUNE DISEASES AND/OR DISORDERS HUMAN GENOME SCIENCES, INC. 2004-06-22 US disclosed
US-20020160491-A1 Human Serpin polynucleotides, polypeptides, and antibodies HUMAN GENOME SCIENCES, INC. 2002-10-31 US disclosed