SCHEMBL11061017

SCHEMBL11061017

CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.80
▸ NR3C1 P04150 8/20 0.80
▸ CYP3A4 P08684 7/20 0.80
▸ HSD17B10 Q99714 4/20 0.80
▸ LMNA P02545 3/20 0.80
▸ CYP2C9 P11712 3/20 0.80
▸ PGR P06401 3/20 0.80
▸ NFKB1 P19838 3/20 0.80
▸ PMP22 Q01453 2/20 0.80
▸ CYP2J2 P51589 1/20 0.80
▸ BLM P54132 1/20 0.80
▸ CYP2C19 P33261 1/20 0.80
▸ TSHR P16473 2/20 0.72
▸ AR P10275 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ APEX1 P27695 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ IKBKB O14920 1/20 0.72

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
SCHEMBL11061022 1.00 HIF1A (0.80) HIF1ANR3C1CYP3A4HSD17B10LMNA
SCHEMBL11061025 1.00 HIF1A (0.80) HIF1ANR3C1CYP3A4HSD17B10LMNA
Doxibetasol SCHEMBL140221 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
Doxibetasol SCHEMBL11328088 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
Doxibetasol SCHEMBL13754704 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
Doxibetasol SCHEMBL11328085 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
Doxibetasol SCHEMBL140220 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
Doxibetasol SCHEMBL11885535 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
SCHEMBL9114530 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA
SCHEMBL7612473 0.92 NR3C1 (0.85) HIF1ANR3C1CYP3A4HSD17B10LMNA

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-4478818-A Ocular preparation housing steroid in two different therapeutic forms ALZA CORPORATION (US) 1984-10-23 — — US disclosed
US-4432964-A Topical composition containing steroid in two forms released independently from polymeric carrier ALZA CORPORATION (US) 1984-02-21 — — US disclosed
US-4304765-A Ocular insert housing steroid in two different therapeutic forms ALZA CORPORATION (US) 1981-12-08 — — US disclosed
Send feedback