SCHEMBL13152830

SCHEMBL13152830

C[C@@H]1CC2[C@@H]3CCC4=CC(=O)/C(=C\O)C[C@]4(C)C3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.50
▸ HIF1A Q16665 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PGR P06401 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ SHBG P04278 1/20 0.42
▸ SERPINA6 P08185 1/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16613937 0.83 HIF1A (0.59) NR3C1HIF1ALMNAPGRCYP2C19
SCHEMBL21278181 0.83 HIF1A (0.59) NR3C1HIF1ALMNAPGRCYP2C19
SCHEMBL13148408 0.83 HIF1A (0.59) NR3C1HIF1ALMNAPGRCYP2C19
SCHEMBL10062789 0.82 HIF1A (0.64) NR3C1HIF1ALMNAPGRCYP2C19
SCHEMBL13148413 0.79 HIF1A (0.58) NR3C1HIF1ALMNAPGRCYP2C19
SCHEMBL13102558 0.79 HIF1A (0.58) NR3C1HIF1ALMNAPGRCYP2C19
SCHEMBL11573398 0.76 NR3C1 (0.81) NR3C1HIF1ALMNAPGRNR1I2
SCHEMBL12396736 0.76 NR3C1 (0.81) NR3C1HIF1ALMNAPGRNR1I2
SCHEMBL3405200 0.76 NR3C1 (0.62) NR3C1HIF1ALMNAPGRCNR1
SCHEMBL3405195 0.76 NR3C1 (0.62) NR3C1HIF1ALMNAPGRCNR1

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