SCHEMBL8904556

SCHEMBL8904556

CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.71
▸ PGR P06401 6/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ AR P10275 4/20 0.71
▸ USP2 O75604 2/20 0.71
▸ HIF1A Q16665 5/20 0.53
▸ LMNA P02545 5/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HRH1 P35367 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ FNTA P49354 1/20 0.51
▸ FNTB P49356 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8501453 0.89 NR3C1 (0.55) NR3C1PGRCYP3A4ARUSP2
SCHEMBL8502672 0.88 NR3C1 (0.57) NR3C1PGRCYP3A4ARUSP2
SCHEMBL4956233 0.86 HIF1A (0.72) NR3C1PGRCYP3A4ARUSP2
SCHEMBL5147408 0.86 HIF1A (0.72) NR3C1PGRCYP3A4ARUSP2
SCHEMBL5148577 0.86 HIF1A (0.72) NR3C1PGRCYP3A4ARUSP2
SCHEMBL11867392 0.85 NR3C1 (0.79) NR3C1PGRCYP3A4ARUSP2
SCHEMBL12323211 0.84 NR3C1 (0.86) NR3C1PGRCYP3A4ARUSP2
SCHEMBL8904914 0.84 NR3C1 (0.86) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL8467031 0.84 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2
Halcinonide SCHEMBL4336 0.84 NR3C1 (1.00) NR3C1PGRCYP3A4ARUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — US disclosed
Send feedback