SCHEMBL8740473

SCHEMBL8740473

O=C(O)CC1C(=O)C2CCC1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
SLC6A12 P48065 3/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL13860670 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26934700 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11773282 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL14721191 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL15840887 0.74 ALDH1A1 (0.36) HSD11B1ALDH1A1CYP1A2CYP2C19AKR1C3
SCHEMBL24587183 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8779995 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24586815 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6712345 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11769174 0.71 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661986-A4 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM. UNIV FLORIDA (US) 1997-04-23 EP disclosed
EP-0661986-A1 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM UNIVERSITY OF FLORIDA (US) 1995-07-12 EP disclosed
WO-1994006450-A1 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM UNIVERSTIY OF FLORIDA (US) 1994-03-31 WO disclosed