SCHEMBL8500255

SCHEMBL8500255

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.63
▸ NR3C1 P04150 6/20 0.63
▸ AR P10275 4/20 0.63
▸ PGR P06401 4/20 0.63
▸ USP2 O75604 1/20 0.63
▸ HIF1A Q16665 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ ABCC3 O15438 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ IL5 P05113 1/20 0.55
▸ NR3C2 P08235 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55

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
SCHEMBL10352704 0.93 NR3C1 (0.74) CYP3A4NR3C1ARPGRUSP2
SCHEMBL10543449 0.93 NR3C1 (0.74) CYP3A4NR3C1ARPGRUSP2
SCHEMBL10352327 0.93 NR3C1 (0.74) CYP3A4NR3C1ARPGRUSP2
SCHEMBL9114073 0.93 NR3C1 (0.64) CYP3A4NR3C1ARPGRUSP2
Rofleponide SCHEMBL23803954 0.87 NR3C1 (0.68) CYP3A4NR3C1ARPGRHIF1A
Rofleponide SCHEMBL74762 0.87 NR3C1 (0.68) CYP3A4NR3C1ARPGRHIF1A
Rofleponide SCHEMBL5506220 0.87 NR3C1 (0.68) CYP3A4NR3C1ARPGRHIF1A
Rofleponide SCHEMBL8505525 0.87 NR3C1 (0.68) CYP3A4NR3C1ARPGRHIF1A
Rofleponide SCHEMBL7196822 0.87 NR3C1 (0.68) CYP3A4NR3C1ARPGRHIF1A
SCHEMBL8501453 0.87 NR3C1 (0.55) CYP3A4NR3C1ARPGRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164636-B1 A PROCESS FOR THE PREPARATION OF 16,17 ACETALS OF PREGNANE DERIVATIVES AND COMPOUNDS OBTAINED THEREFROM SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1990-09-19 — — EP claimed
US-5939409-A CONDENSATION OF ALDEHYDE WITH STEROIDIOL TO FORM AN ACETAL GROUPS ASTRA AKTIEBOLAG (SE) 1999-08-17 — — US disclosed
EP-0570454-B1 NOVEL STEROIDS ASTRA AB (SE) 1999-04-07 — — EP disclosed
US-5888995-A ANTIINFLAMMATORY AND ANTIALLERGENIC AGENTS; A NOVEL GLUCOCORTICOSTEROID ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
US-5674861-A GLUCOCORTICOSTEROIDS FOR LOCAL TREATMENT OF INFLAMMATORY DISORDERS ASTRA AKTIEBOLAG (SE) 1997-10-07 — — US disclosed
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — US disclosed
US-4812591-A Process for the preparation of bisphenol-bisacrylates BAYER AKTIENGESELLSCHAFT (DE) 1989-03-14 — — US disclosed
US-4695625-A Process for the preparation of 16,17 acetals of pregnane derivatives SICOR SOCIETA ITALIANA CORTICOSTEROIDI S.P.A. (IT) 1987-09-22 — — US disclosed
EP-0164636-A2 A process for the preparation of 16,17 acetals of pregnane derivatives and compounds obtained therefrom SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1985-12-18 — — EP disclosed
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