SCHEMBL4546

SCHEMBL4546

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@]12F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.74
CYP2C19 P33261 4/20 0.73
SHBG P04278 4/20 0.72
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 1/20 0.64
SERPINA6 P08185 4/20 0.58
HIF1A Q16665 5/20 0.58
PGR P06401 3/20 0.58
HRH1 P35367 1/20 0.58
HSD17B10 Q99714 8/20 0.57
CYP3A4 P08684 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
PMP22 Q01453 2/20 0.57
CYP2D6 P10635 1/20 0.57
KCNA1 Q09470 1/20 0.57
SLC47A1 Q96FL8 1/20 0.57
BLM P54132 1/20 0.56
AR P10275 2/20 0.54

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
SCHEMBL143178 1.00 NR3C1 (0.74) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL18799367 0.88 CYP2C19 (0.75) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL4738 0.88 NR3C1 (0.76) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL722408 0.86 SHBG (0.64) NR3C1CYP2C19SHBGALDH1A1MAPK1
SCHEMBL11037287 0.86 SHBG (0.72) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL23975175 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL10598529 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL4323075 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL19327146 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1
Fludrocortisone SCHEMBL13026141 0.85 NR3C1 (1.00) NR3C1CYP2C19SHBGALDH1A1MAPK1

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

Appears in 22686 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747263-A1 LIPID NANOPARTICLES AND USES THEREOF University of Connecticut (US) 2026-05-27 EP claimed
CN-116209439-B Cereblon protein modulators Saint Jude Children's Research Hospital Ltd. (US) 2026-05-26 CN claimed
WO-2026102485-A1 PRODUCTS AND METHODS FOR THE ASSESSMENT AND TREATMENT OF SEPSIS AND IMMUNOLOGICAL AND INFLAMMATORY CONDITIONS CENTRAL ADELAIDE LOCAL HEALTH NETWORK INC (AU) 2026-05-21 WO claimed
US-20260139030-A1 CHIMERIC PROTEINS FOR TREATING CUTANEOUS INFLAMMATION SHATTUCK LABS INC (US) 2026-05-21 US claimed
WO-2026100654-A1 NUCLEIC ACID INTRODUCTION AID, NUCLEIC ACID INTRODUCTION AGENT, AND NUCLEIC ACID INTRODUCTION METHOD 株式会社インファーマシア 2026-05-15 WO claimed
US-20260125650-A1 METHODS AND COMPOSITIONS FOR GENERATING HEPATOCYTES TRAILHEAD BIOSYSTEMS INC (US) 2026-05-07 US claimed
WO-2026087695-A1 TREATMENT FOR METABOLIC DISORDER SAPREME TECHNOLOGIES B.V. (NL) 2026-04-30 WO claimed
US-20260108610-A1 Drug-Resistant Immune Cells and Methods of Use Thereof REGENTS OF THE UNIVERSITY OF MINNESOTA 2026-04-23 US claimed
US-20260109699-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2026-04-23 US claimed
EP-4728280-A1 COMPOUNDS FOR DIAGNOSING AND TREATING EPILEPSY SYNDROMES, METHODS AND USES THEREOF BIOSTRIKE UNIPESSOAL LDA (PT) 2026-04-22 EP claimed
EP-0028110-B1 AUTOCLAVABLE EMULSIONS Smith and Nephew Associated Companies p.l.c. (GB) 1984-03-07 EP claimed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO claimed
US-4376767-A ANTIBIOTICS AND PHARMACEUTICALS MERCK & CO., INC. (US) 1983-03-15 US claimed
US-4346709-A Drug delivery devices comprising erodible polymer and erosion rate modifier ALZA CORPORATION (US) 1982-08-31 US claimed
EP-0055870-A1 Pyridylmethyl esters of selected bio-affecting carboxylic acids, process for preparing and pharmaceutical composition comprising the same MERCK & CO. INC. (US) 1982-07-14 EP claimed
EP-0051278-A1 Soft tertiary amine esters of bio-affecting carboxylic acids, processes for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1982-05-12 EP claimed
US-4279900-A ANTIINFLAMMATORY INTREX RESEARCH CORPORATION (US) 1981-07-21 US claimed
EP-0028110-A2 Autoclavable emulsions Smith and Nephew Associated Companies p.l.c. (GB) 1981-05-06 EP claimed
US-4083974-A Topical steroidal anti-inflammatory preparations containing polyoxypropylene 15 stearyl ether THE UPJOHN COMPANY (US) 1978-04-11 US claimed
US-4041055-A SULFENYLATION, MICHAEL ADDITION, REACTION WITH THIOPHILE, HYDROLYSIS THE UPJOHN COMPANY (US) 1977-08-09 US claimed