SCHEMBL11126100

SCHEMBL11126100

CCCCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.69
▸ AR P10275 3/20 0.69
▸ ABCB11 O95342 3/20 0.60
▸ NR3C1 P04150 7/20 0.58
▸ CYP3A4 P08684 6/20 0.58
▸ ADRA1A P35348 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ USP2 O75604 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ADORA3 P0DMS8 2/20 0.54
▸ CHRM1 P11229 2/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 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
SCHEMBL11122100 1.00 PGR (0.69) PGRARABCB11NR3C1CYP3A4
SCHEMBL11122098 1.00 PGR (0.69) PGRARABCB11NR3C1CYP3A4
SCHEMBL8909765 0.98 PGR (0.66) PGRARABCB11NR3C1CYP3A4
SCHEMBL11246597 0.96 PGR (0.70) PGRARABCB11NR3C1CYP3A4
SCHEMBL11127297 0.96 PGR (0.70) PGRARABCB11NR3C1CYP3A4
SCHEMBL11246599 0.96 PGR (0.70) PGRARABCB11NR3C1CYP3A4
SCHEMBL11236322 0.93 PGR (0.72) PGRARABCB11NR3C1CYP3A4
SCHEMBL11126579 0.93 PGR (0.72) PGRARABCB11NR3C1CYP3A4
SCHEMBL11236326 0.93 PGR (0.72) PGRARABCB11NR3C1CYP3A4
SCHEMBL11127710 0.91 ABCB11 (0.72) PGRARABCB11NR3C1CYP3A4

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
EP-0029924-B1 6-ALPHA-FLUORO-16-METHYL-PREDNISOLONE-17,21 DIESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM STEROSYNT Ltd. (GB) 1984-08-15 — — EP claimed
EP-0029924-B1 6-ALPHA-FLUORO-16-METHYL-PREDNISOLONE-17,21 DIESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM STEROSYNT Ltd. (GB) 1984-08-15 — — 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
US-3998701-A Process for the preparation of 17-acyl esters of 17α, 21-dihydroxysteroids of the pregnane series and novel products LARK S.P.A. (IT) 1976-12-21 — — US disclosed
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