SCHEMBL4194440

SCHEMBL4194440

O=C(O)CC1CCC(=O)OC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.40
SLC6A1 P30531 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
SLC6A12 P48065 3/20 0.39
SLC6A11 P48066 3/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRR1 P24046 2/20 0.39
GABRA4 P48169 2/20 0.39
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGB2 P05107 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL4206205 0.91 POLB (0.41) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL4206078 0.90 ALDH1A1 (0.51) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL4203347 0.89 POLB (0.40) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL10000010 0.82 ALDH1A1 (0.43) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL336991 0.80 ALDH1A1 (0.52) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL9060863 0.78 ITGB1 (0.43) ALDH1A1POLBMAPTTDP1TSHR
SCHEMBL28189341 0.76 TP53 (0.36) ALDH1A1POLBMAPTTDP1TSHR
Methylene Chloride SCHEMBL28174699 0.75 ALDH1A1 (0.52) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL30659860 0.74 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL24483431 0.74 ANPEP (0.56) ALDH1A1POLBMAPTTDP1SLC6A1

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
US-20090311303-A1 BIODEGRADABLE IMPLANTS FOR BONE FUSION AND COMPOSITIONS THEREFOR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2009-12-17 US disclosed
EP-2015789-A1 BIODEGRADABLE IMPLANTS FOR BONE FUSION AND COMPOSITIONS THEREFOR Queensland University of Technology (AU) 2009-01-21 EP disclosed
WO-2007124537-A1 BIODEGRADABLE IMPLANTS FOR BONE FUSION AND COMPOSITIONS THEREFOR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2007-11-08 WO disclosed