SCHEMBL2214773

SCHEMBL2214773

CSCOC1CC(C)CCC1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TRPA1 O75762 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
P2RX4 Q99571 1/20 0.42
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 2/20 0.41
CYP19A1 P11511 2/20 0.40
MAPT P10636 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2214774 1.00 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL10519642 0.82 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL8070812 0.82 ALDH1A1 (0.75) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL16360067 0.80 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL3378961 0.80 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL16518811 0.80 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL74463 0.80 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL14204902 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL3620395 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL3415002 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11029496-A None JP disclosed
US-8808731-B2 Adhesive pharmaceutical preparation containing bisoprolol NITTO DENKO CORPORATION (JP) 2014-08-19 US disclosed
CN-101262858-B Adhesive pharmaceutical preparation containing bisoprolol NITTO DENKO CORP 2014-04-09 CN disclosed
EP-2359823-A1 Adhesive pharmaceutical preparation containing bisoprolol Nitto Denko Corporation (JP) 2011-08-24 EP disclosed
EP-1932523-B1 ADHESIVE PREPARATION CONTAINING BISOPROLOL NITTO DENKO CORP (JP) 2011-07-27 EP disclosed
US-20090291126-A1 ADHESIVE PHARMACEUTICAL PREPARATION CONTAINING BISOPROLOL NITTO DENKO CORPORATION (JP) 2009-11-26 US disclosed
CN-101262858-A Adhesive pharmaceutical preparation containing bisoprolol NITTO DENKO CORP (JP) 2008-09-10 CN disclosed
EP-1932523-A1 ADHESIVE PREPARATION CONTAINING BISOPROLOL NITTO DENKO CORPORATION (JP) 2008-06-18 EP disclosed
JP-H1129496-A EXTERNAL AGENT COMPOSITION CONTAINING NEW TRANSCUTANEOUS ABSORBEFACIENT SAITAMA DAIICHI SEIYAKU KK 1999-02-02 JP disclosed