SCHEMBL7274518

SCHEMBL7274518

O=C(OC1CCCCC1)C(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
CYP2D6 P10635 5/20 0.62
CYP2C9 P11712 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CHRM2 P08172 4/20 0.61
CHRM1 P11229 4/20 0.61
CHRM3 P20309 4/20 0.61
CHRM4 P08173 3/20 0.61
CHRM5 P08912 3/20 0.61
BLM P54132 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
THRB P10828 2/20 0.50
PMP22 Q01453 2/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 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
SCHEMBL198083 1.00 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL198313 1.00 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL7268076 0.98 LMNA (0.61) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL3916189 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL2062723 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL415802 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL8987487 0.97 LMNA (0.59) LMNACYP2D6CYP2C9HSD17B10CHRM2
Iodide SCHEMBL16713395 0.97 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL7269400 0.97 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL19105458 0.85 CYP2D6 (0.51) LMNACYP2D6CYP2C9HSD17B10CHRM2

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-0806948-A1 TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN SEPRACOR, INC. (US) 1997-11-19 EP claimed
WO-1996023492-A1 TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN SEPRACOR, INC. (US) 1996-08-08 WO claimed
CN-108906053-B Hydrophobic hydrotalcite loaded bimetallic catalyst and oxidation catalysis application thereof 中国科学院兰州化学物理研究所苏州研究院 2020-11-03 CN disclosed
EP-0806948-A1 TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN SEPRACOR, INC. (US) 1997-11-19 EP disclosed
WO-1996023492-A1 TREATING URINARY INCONTINENCE USING (S)-OXYBUTYNIN AND (S)-DESETHYLOXYBUTYNIN SEPRACOR, INC. (US) 1996-08-08 WO disclosed
EP-0359311-A2 Butynylamine derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1990-03-21 EP disclosed