SCHEMBL8330892

SCHEMBL8330892

CCC(C)CCOC(=O)OCN

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.31

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
SCHEMBL3088928 0.90 ALDH1A1 (0.42) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13540974 0.82 CA1 (0.39) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5964962 0.82 CA1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL8330887 0.81 ALOX15 (0.36) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5965030 0.80 MAPT (0.43) ALOX15ALDH1A1MAPT
SCHEMBL1463418 0.79 ALOX15 (0.40) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14991536 0.78 ALDH1A1 (0.39) ALOX15ALDH1A1MAPT
SCHEMBL222762 0.78 CHRNB2 (0.57) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3666732 0.76 ACE2 (0.37) ALDH1A1
SCHEMBL4840226 0.75 ALOX15 (0.58) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed