SCHEMBL13147969

SCHEMBL13147969

C[C@]12CC(C=O)C(=O)C=C1CC[C@@H]1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.62
▸ LMNA P02545 2/20 0.62
▸ NR3C1 P04150 6/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ CYP2C19 P33261 3/20 0.59
▸ PGR P06401 3/20 0.59
▸ SERPINA6 P08185 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NR3C2 P08235 2/20 0.59
▸ SHBG P04278 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ AR P10275 2/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ PMP22 Q01453 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL2077302 1.00 HIF1A (0.62) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL2077874 1.00 HIF1A (0.62) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL3437979 0.87 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL13147966 0.85 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL13043685 0.85 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL2484782 0.85 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL1626382 0.85 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL1626384 0.85 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL16613937 0.80 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL21278181 0.80 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19

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
WO-2010114476-A1 NOVEL DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 — — WO disclosed
WO-2010114471-A1 NOVEL AMIDE DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 — — WO disclosed
WO-2009044200-A1 STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2009-04-09 — — WO disclosed
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