SCHEMBL536709

SCHEMBL536709

CC1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC3(O)C(=O)O)[C@@]2(C)C(O)=CC(=O)C=C12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.52
HIF1A Q16665 5/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP3A4 P08684 7/20 0.43
PGR P06401 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ABCC4 O15439 2/20 0.43
ABCB11 O95342 2/20 0.43
NR1I2 O75469 2/20 0.43
PDE4D Q08499 1/20 0.43
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
AR P10275 3/20 0.41
F2 P00734 1/20 0.41
CYP19A1 P11511 5/20 0.40

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
SCHEMBL3764090 0.91 HIF1A (0.62) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL3764086 0.91 HIF1A (0.62) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL6565563 0.89 HSD17B10 (0.57) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL3700732 0.89 HSD17B10 (0.57) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL5180250 0.89 HSD17B10 (0.57) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL6564776 0.84 PGR (0.60) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL6564780 0.84 PGR (0.60) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL5697443 0.80 LMNA (0.51) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL26133329 0.80 LMNA (0.51) NR3C1HIF1ALMNAMEN1KMT2A
SCHEMBL6566615 0.79 NR3C1 (0.65) NR3C1HIF1ALMNAMEN1KMT2A

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
EP-2414375-A1 NOVEL AMIDE DERIVATIVES OF STEROIDALÝ3,2-C¨PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY AstraZeneca AB (SE) 2012-02-08 EP 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