SCHEMBL3170744

SCHEMBL3170744

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC3O[C@]312

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 3/20 0.70
MAPK1 P28482 1/20 0.70
HIF1A Q16665 9/20 0.56
HSD17B10 Q99714 7/20 0.56
PGR P06401 5/20 0.56
NR3C1 P04150 5/20 0.56
CYP3A4 P08684 5/20 0.56
AR P10275 2/20 0.56
SERPINA6 P08185 2/20 0.56
CYP2C19 P33261 2/20 0.56
ABCB11 O95342 1/20 0.56
TNF P01375 1/20 0.56
IL6 P05231 1/20 0.56
NR3C2 P08235 1/20 0.56
GLUL P15104 1/20 0.56
ADAM17 P78536 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.56
LMNA P02545 6/20 0.54
POLB P06746 1/20 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
SCHEMBL3170728 1.00 KDM4E (1.00) KDM4EALDH1A1MAPK1HIF1AHSD17B10
SCHEMBL5259047 1.00 KDM4E (1.00) KDM4EALDH1A1MAPK1HIF1AHSD17B10
SCHEMBL3170735 1.00 KDM4E (1.00) KDM4EALDH1A1MAPK1HIF1AHSD17B10
SCHEMBL5943274 0.89 KDM4E (0.80) KDM4EALDH1A1MAPK1HIF1AHSD17B10
SCHEMBL5943277 0.89 KDM4E (0.80) KDM4EALDH1A1MAPK1HIF1AHSD17B10
SCHEMBL24852454 0.88 KDM4E (0.79) KDM4EALDH1A1MAPK1HIF1APGR
SCHEMBL5708128 0.88 KDM4E (0.79) KDM4EALDH1A1MAPK1HIF1APGR
SCHEMBL5708123 0.88 KDM4E (0.79) KDM4EALDH1A1MAPK1HIF1APGR
SCHEMBL24525578 0.88 KDM4E (0.79) KDM4EALDH1A1MAPK1HIF1APGR
SCHEMBL6152790 0.86 KDM4E (0.76) KDM4EALDH1A1MAPK1HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395603-B1 PREPARATION OF FLUMETHASONE AND ITS 17-CARBOXYL ANDROSTEN ANALOGUE HOVIONE LTD (CN) 2010-03-10 EP disclosed
EP-1207166-B1 Process for the preparation of 6.alpha.-fluoro,9,11.beta.-epoxy-steroids FARMABIOS SPA (IT) 2007-09-26 EP disclosed
US-6794503-B2 FLUORINATING A 9B, 11B-STEROID WITH N-FLUORO-N-CHLOROMETHYLTRIETHYLENEDIAMINEBISTETRAFLUOROBORATE, 1-FLUORO-4-HYDROXY-1,4-DIAZABICYCLO(2.2.2)OCTANE BISTETRAFLUOROBORATE, OR 1-FLUOROBENZENESULFONAMIDE. FARMABIOS S.R.L. (IT) 2004-09-21 US disclosed
US-6528666-B1 C3 protecting 9,11-epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione,21-acetate; fluorinating at 6 alpha; depro-tecting and fluorinating epoxy group; simultaneous hydrolysis and oxidative degradation with methanolic potassium hydroxide HORIONE LIMITED (HK) 2003-03-04 US disclosed
EP-1207166-A2 Process for the preparation of 6.alpha.-fluoro,9,11.beta.-epoxy-steroids Farmabios S.r.l. (IT) 2002-05-22 EP disclosed
US-4704358-A Δ1 -dehydrogenation with heat or air-dried B. cyclooxidans THE UPJOHN COMPANY (US) 1987-11-03 US disclosed
EP-0029151-B1 6-ALPHA-FLUORO-9-ALPHA-CHLORO-PREDNISOLONE-17,21 DIESTERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES STEROSYNT Ltd. (GB) 1985-09-25 EP disclosed
EP-0030615-A1 6-Alpha-9-alpha-difluoro-16-beta-methyl-prednisolone-17,21 diesters and pharmaceutical compositions containing them STEROSYNT Ltd. (GB) 1981-06-24 EP disclosed
EP-0029924-A1 6-Alpha-fluoro-16-methyl-prednisolone-17,21 diesters and pharmaceutical compositions containing them STEROSYNT Ltd. (GB) 1981-06-10 EP disclosed
EP-0029151-A2 6-Alpha-fluoro-9-alpha-chloro-prednisolone-17,21 diesters, pharmaceutical compositions containing them and intermediates STEROSYNT Ltd. (GB) 1981-05-27 EP disclosed