SCHEMBL2823012

SCHEMBL2823012

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.54
NR3C1 P04150 7/20 0.54
LMNA P02545 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CYP3A4 P08684 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HIF1A Q16665 3/20 0.54
MEN1 O00255 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
MAPT P10636 2/20 0.54
SLC6A3 Q01959 2/20 0.54
PDE4D Q08499 2/20 0.54
HPGD P15428 1/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
HTT P42858 1/20 0.54
PDE3A Q14432 1/20 0.54
AR P10275 5/20 0.48
SHBG P04278 3/20 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
SCHEMBL2868598 0.91 AR (0.50) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL2868596 0.91 AR (0.50) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL10716868 0.88 PGR (0.53) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL5697475 0.81 NR3C1 (0.46) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL11020426 0.81 AR (0.59) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL2823016 0.80 LMNA (0.56) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL11024225 0.79 PGR (0.71) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL8415805 0.78 NR3C1 (0.56) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL8415802 0.78 NR3C1 (0.56) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL4557359 0.78 AR (0.47) PGRNR3C1LMNASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265257-A2 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE Almirall, S.A. (ES) 2010-12-29 EP disclosed
EP-2265258-A2 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE Almirall, S.A. (ES) 2010-12-29 EP disclosed
WO-2009112274-A2 NOVEL DOSAGE AND FORMULATION ALMIRALL, S.A. (ES) 2009-09-17 WO disclosed
WO-2009112273-A2 NOVEL DOSAGE AND FORMULATION ALMIRALL, S.A. (ES) 2009-09-17 WO disclosed