Cyclandelate

Cyclandelate

SCHEMBL9705893

CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1.O=[N+]([O-])C(O)C(O)CO

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.74
NR1I2 O75469 1/20 0.74
ABCB11 O95342 1/20 0.74
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 3/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM2 P08172 5/20 0.45
CHRM1 P11229 4/20 0.45
CHRM3 P20309 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM4 P08173 2/20 0.45
BLM P54132 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR2C P28335 2/20 0.39
KDM4E B2RXH2 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
Cyclandelate SCHEMBL8060819 0.86 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
Cyclandelate SCHEMBL547043 0.86 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
Cyclandelate SCHEMBL5123 0.86 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
Cyclandelate SCHEMBL9705887 0.82 LMNA (0.70) LMNANR1I2ABCB11CYP2D6CYP2C9
Eucatropine SCHEMBL132347 0.68 CYP2D6 (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL13894203 0.67 LMNA (0.71) LMNANR1I2ABCB11CYP2C9CYP3A4
Eucatropine SCHEMBL636552 0.67 LMNA (1.00) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL6908933 0.67 ALDH1A1 (0.84) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL3846508 0.67 ALDH1A1 (0.84) LMNANR1I2ABCB11CYP2D6CYP2C9
SCHEMBL3846512 0.67 ALDH1A1 (0.84) LMNANR1I2ABCB11CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214501-B1 EMULSION COMPOSITIONS FOR ADMINISTRATION OF SPARINGLY WATER SOLUBLE IONIZABLE BASIC HYDROPHOBIC DRUGS AMERICAN CYANAMID COMPANY (US) 1992-09-23 EP disclosed
EP-0215313-B1 EMULSION COMPOSITIONS FOR THE PARENTERAL AND/OR ORAL ADMINISTRATION OF SPARINGLY WATER SOLUBLE IONIZABLE HYDROPHOBIC DRUGS AMERICAN CYANAMID COMPANY (US) 1992-07-29 EP disclosed
US-4816247-A FOR INJECTIONS AMERICAN CYANAMID COMPANY (US) 1989-03-28 US disclosed
US-4784845-A FAT EMULSIONS WITH BENZYL ALCOHOL FOR DRUGS AMERICAN CYANAMID COMPANY (US) 1988-11-15 US disclosed
EP-0215313-A2 Emulsion compositions for the parenteral and/or oral administration of sparingly water soluble ionizable hydrophobic drugs AMERICAN CYANAMID COMPANY (US) 1987-03-25 EP disclosed
EP-0214501-A2 Emulsion compositions for administration of sparingly water soluble ionizable basic hydrophobic drugs AMERICAN CYANAMID COMPANY (US) 1987-03-18 EP disclosed