SCHEMBL11526150

SCHEMBL11526150

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC=C(C(=O)CCl)[C@@]3(C)C[C@H](O)C12F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.59
AR P10275 3/20 0.59
PGR P06401 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP3A4 P08684 2/20 0.55
USP2 O75604 1/20 0.55
HRH1 P35367 1/20 0.54
HIF1A Q16665 1/20 0.54
LMNA P02545 2/20 0.52
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
SHBG P04278 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
SERPINA6 P08185 1/20 0.43
CYP17A1 P05093 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 1/20 0.37

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
SCHEMBL11138455 1.00 NR3C1 (0.59) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11138448 1.00 NR3C1 (0.59) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11141463 1.00 NR3C1 (0.59) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL9656240 0.91 NR3C1 (0.61) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL9656247 0.91 NR3C1 (0.61) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11688398 0.88 NR3C1 (0.60) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11688389 0.88 NR3C1 (0.60) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11688405 0.88 NR3C1 (0.60) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11523625 0.87 NR3C1 (0.64) NR3C1ARPGRHSD17B10CYP3A4
SCHEMBL11523629 0.87 NR3C1 (0.64) NR3C1ARPGRHSD17B10CYP3A4

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
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