SCHEMBL11523629

SCHEMBL11523629

CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(O)C[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.64
HIF1A Q16665 5/20 0.64
PGR P06401 4/20 0.64
HRH1 P35367 1/20 0.64
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
AR P10275 4/20 0.53
HSD17B10 Q99714 1/20 0.53
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
CYP3A4 P08684 4/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SERPINA6 P08185 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.41
CNR1 P21554 1/20 0.41
TBXA2R P21731 1/20 0.41
CYP17A1 P05093 1/20 0.41

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
SCHEMBL11523625 1.00 NR3C1 (0.64) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11523621 1.00 NR3C1 (0.64) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11688880 0.92 LMNA (0.61) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11688872 0.92 LMNA (0.61) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11688884 0.92 LMNA (0.61) NR3C1HIF1APGRHRH1LMNA
SCHEMBL9656247 0.88 NR3C1 (0.61) NR3C1HIF1APGRHRH1LMNA
SCHEMBL9656240 0.88 NR3C1 (0.61) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11138455 0.87 NR3C1 (0.59) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11138448 0.87 NR3C1 (0.59) NR3C1HIF1APGRHRH1LMNA
SCHEMBL11141463 0.87 NR3C1 (0.59) NR3C1HIF1APGRHRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4155917-A WITH OZONE AND AN ALKANOL E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
EP-0000546-A1 D-homo oxasteroids, processes for their preparation, their use in preparing pharmaceutical compositions with antiinflammatocy activity and pharmaceutical compositions containing them E.R. Squibb & Sons, Inc. (US) 1979-02-07 EP disclosed
US-4116978-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-09-26 US disclosed
US-3937720-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-02-10 US disclosed