SCHEMBL8499317

SCHEMBL8499317

CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]12OC(CCC)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NR3C1 P04150 4/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ PGR P06401 2/20 0.56
▸ AR P10275 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NR3C2 P08235 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ABCC3 O15438 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ IL5 P05113 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ MMP9 P14780 1/20 0.46

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
SCHEMBL8503153 1.00 HIF1A (0.56) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL8500154 0.91 CYP3A4 (0.60) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL8499983 0.89 HIF1A (0.73) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL10539776 0.87 NR3C1 (0.74) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL10538489 0.87 NR3C1 (0.74) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL8500349 0.87 NR3C1 (0.74) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL8501938 0.86 CYP3A4 (0.57) HIF1ACYP3A4SMN1; SMN2NR3C1ABCB11
SCHEMBL8500279 0.83 NR3C1 (0.60) HIF1ACYP3A4NR3C1PGRAR
SCHEMBL8499719 0.83 NR3C1 (0.60) HIF1ACYP3A4NR3C1PGRAR
SCHEMBL7204193 0.83 NR3C1 (0.60) HIF1ACYP3A4NR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888995-A ANTIINFLAMMATORY AND ANTIALLERGENIC AGENTS; A NOVEL GLUCOCORTICOSTEROID ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — US disclosed
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