SCHEMBL7553169

SCHEMBL7553169

CC(=O)OCCC(C)CCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 4/20 0.42
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
TSHR P16473 1/20 0.40
GALR3 O60755 2/20 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
SCHEMBL7552905 0.91 ALOX15 (0.70) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
Citronellyl Acetate SCHEMBL4623480 0.86 ALOX15 (0.87) ALOX15ALDH1A1TSHRPTPN1
SCHEMBL4555785 0.84 ALOX15 (0.44) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL26735183 0.84 ALOX15 (0.44) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL10592155 0.84 ALOX15 (0.58) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL25341538 0.83 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL15542057 0.83 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL18224036 0.83 ALOX15 (0.43) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL14665241 0.83 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
3-Methylbutanol SCHEMBL6897136 0.83 ALOX15 (0.47) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908455-B1 Macrocycles GIVAUDAN SA (CH) 2002-07-10 EP disclosed
US-6265440-B1 STOMACH ULCERS R-TECH UENO, LTD. (JP) 2001-07-24 US disclosed
US-6255276-B1 MUSK MACROMOLECULE GIVAUDEN ROURE (INTERNATIONAL) S.A. (CH) 2001-07-03 US disclosed
EP-0908455-A1 Macrocycles GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1999-04-14 EP disclosed
US-5886034-A ANTIULCER AGENTS KABUSHIKI KAISHA UENO SEIYAKU KENKYUJO (JP) 1999-03-23 US disclosed
US-5428062-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-06-27 US disclosed
US-5380709-A Prostaglandins E and anti ulcers containing same K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-01-10 US disclosed
US-5284858-A Prostaglandins E and anti ulcers containing same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1994-02-08 US disclosed
US-5225439-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-07-06 US disclosed
US-5166174-A For duodenal ulcers or gastric ulcers K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1992-11-24 US disclosed
EP-0284180-B1 PROSTAGLANDINS E AND ANTI ULCERS CONTAINING SAME Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-08-19 EP disclosed
EP-0284180-A1 Prostaglandins E and anti ulcers containing same Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-09-28 EP disclosed