SCHEMBL6036866

SCHEMBL6036866

CCC(=O)O[C@]1(C(=O)S[C@H]2CCOC2=O)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C(O)=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.36
AR P10275 2/20 0.36
CYP3A4 P08684 4/20 0.34
USP2 O75604 4/20 0.34
NR3C1 P04150 4/20 0.34
PGR P06401 4/20 0.34
LMNA P02545 3/20 0.34
NR1I2 O75469 3/20 0.34
MAPT P10636 2/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A5 P20815 1/20 0.34
PPARG P37231 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
HIF1A Q16665 2/20 0.33
CNR1 P21554 2/20 0.33

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
SCHEMBL6888641 1.00 CYP19A1 (0.36) CYP19A1ARCYP3A4USP2NR3C1
SCHEMBL3466312 1.00 CYP19A1 (0.36) CYP19A1ARCYP3A4USP2NR3C1
SCHEMBL6676011 0.88 LMNA (0.45) CYP19A1ARCYP3A4USP2NR3C1
SCHEMBL5814451 0.86 CYP19A1 (0.42) CYP19A1ARCYP3A4USP2NR3C1
SCHEMBL5681321 0.85 CYP3A4 (0.37) ARCYP3A4USP2NR3C1PGR
SCHEMBL4225856 0.83 CYP19A1 (0.41) CYP19A1ARCYP3A4USP2NR3C1
SCHEMBL8661015 0.81 LMNA (0.44) CYP19A1CYP3A4USP2NR3C1PGR
SCHEMBL6521590 0.81 LMNA (0.44) CYP19A1CYP3A4USP2NR3C1PGR
SCHEMBL1847854 0.81 LMNA (0.44) CYP19A1CYP3A4USP2NR3C1PGR
SCHEMBL6425507 0.79 AR (0.46) CYP19A1ARCYP3A4USP2NR3C1

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-1680163-A1 DRY POWDER INHALER Astrazeneca AB (SE) 2006-07-19 EP disclosed
WO-2005035036-A1 DRY POWDER INHALER ASTRAZENECA AB (SE) 2005-04-21 WO disclosed