SCHEMBL6838216

SCHEMBL6838216

CC1C(C(=O)O)CCC(C(=O)O)C1C.CC1CC(C(=O)O)C(C)CC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.40
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
GABRR2 P28476 1/20 0.34
GRM2 Q14416 1/20 0.34
PEPD P12955 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB3 Q05901 2/20 0.33
CHRNA6 Q15825 2/20 0.33
PPP5C P53041 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL7722913 0.89 GABRR1 (0.48) GABRR1SLC1A2GABRR2GRM2CHRNB2
SCHEMBL5500131 0.89 GABRR1 (0.48) GABRR1SLC1A2GABRR2GRM2CHRNB2
SCHEMBL3248675 0.89 GABRR1 (0.48) GABRR1SLC1A2SLC1A1GABRR2GRM2
SCHEMBL10441953 0.89 GABRR1 (0.48) GABRR1SLC1A2GABRR2GRM2CHRNB2
SCHEMBL1688785 0.87
SCHEMBL440352 0.87
SCHEMBL4920447 0.87
SCHEMBL5521450 0.87
SCHEMBL438545 0.87
SCHEMBL265423 0.87

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-6756452-B2 REACTING POLYESTER WITH EPICHLOROHYDRIN; DURABILITY; WEATHERPROOFING; PROTECTIVE COATINGS RESOLUTION PERFORMANCE PRODUCTS LLC 2004-06-29 US disclosed
US-20030004281-A1 Glycidylester compositions and a process for their manufacture HEXION INC. 2003-01-02 US disclosed