SCHEMBL2823016

SCHEMBL2823016

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
NR3C1 P04150 4/20 0.56
PGR P06401 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP3A4 P08684 3/20 0.56
MEN1 O00255 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
MAPT P10636 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 1/20 0.56
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
HTT P42858 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3A Q14432 1/20 0.56
HIF1A Q16665 1/20 0.56
CYP19A1 P11511 6/20 0.54
AR P10275 3/20 0.50

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
SCHEMBL6447130 0.88 CYP19A1 (0.61) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL11020428 0.81 AR (0.61) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL2823012 0.80 PGR (0.54) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL11021243 0.79 CYP3A4 (0.73) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL15270949 0.78 CYP19A1 (0.56) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL10938054 0.76 CYP19A1 (0.58) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL6801424 0.76 AR (0.82) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL11511136 0.76 LMNA (0.78) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL10938432 0.76 CYP19A1 (0.60) LMNANR3C1PGRSMN1; SMN2CYP3A4
SCHEMBL11022317 0.75 CYP19A1 (0.56) LMNANR3C1PGRSMN1; 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