SCHEMBL11315259

SCHEMBL11315259

CC(=O)OCC(=O)[C@@]12OC(C)(C)OC1C[C@H]1[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]12C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.64
▸ LMNA P02545 7/20 0.64
▸ PGR P06401 7/20 0.64
▸ HIF1A Q16665 6/20 0.64
▸ AR P10275 3/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ CYP3A4 P08684 6/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NR1I2 O75469 1/20 0.46
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL11321384 0.90 NR3C1 (0.78) NR3C1LMNAPGRHIF1AAR
SCHEMBL11443526 0.87 NR3C1 (0.68) NR3C1LMNAPGRHIF1AAR
SCHEMBL11315955 0.86 HIF1A (0.66) NR3C1LMNAPGRHIF1AAR
SCHEMBL11318411 0.82 HIF1A (0.60) NR3C1LMNAPGRHIF1AAR
SCHEMBL11318418 0.82 HIF1A (0.60) NR3C1LMNAPGRHIF1AAR
SCHEMBL11326793 0.82 HIF1A (0.60) NR3C1LMNAPGRHIF1AAR
SCHEMBL11141467 0.81 NR3C1 (0.55) NR3C1LMNAPGRHIF1AAR
SCHEMBL11322896 0.81 HIF1A (0.52) NR3C1LMNAPGRHIF1AAR
SCHEMBL11322898 0.81 HIF1A (0.52) NR3C1LMNAPGRHIF1AAR
SCHEMBL11306422 0.80 HIF1A (0.74) NR3C1LMNAPGRHIF1AAR

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-4255331-A 3-Acetoxy-9β-11β-epoxy-dienes and the preparation of the corresponding 6α-halogen-4-ene-3-ones PROCHEM ESTABLISHMENT (LI) 1981-03-10 — — US disclosed
Send feedback