SCHEMBL7644441

SCHEMBL7644441

COP(=O)(Cc1ccccc1)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGH Q92820 2/20 0.56
NAALAD2 Q9Y3Q0 3/20 0.49
FOLH1 Q04609 5/20 0.47
CPA3 P15088 1/20 0.42
GAA P10253 1/20 0.42
MME P08473 1/20 0.41
ECE1 P42892 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ADAMTS4 O75173 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7642260 0.88 GGH (0.57) GGHNAALAD2FOLH1CPA3GAA
SCHEMBL1374224 0.81 GGH (0.65) GGHNAALAD2FOLH1CPA3GAA
SCHEMBL1374225 0.81 GGH (0.65) GGHNAALAD2FOLH1CPA3GAA
SCHEMBL2368762 0.77 GGH (0.57) GGHNAALAD2FOLH1CPA3GAA
SCHEMBL2368758 0.77 GGH (0.59) GGHNAALAD2FOLH1CPA3GAA
SCHEMBL2368764 0.77 GGH (0.59) GGHNAALAD2FOLH1CPA3GAA
SCHEMBL8649767 0.77 GGH (0.44) GGHNAALAD2FOLH1
SCHEMBL7608262 0.74 GGH (0.50) GGHFOLH1MMP9
SCHEMBL5060126 0.73 GGH (0.55) GGHNAALAD2FOLH1CPA3
SCHEMBL5059860 0.73 GGH (0.62) GGHNAALAD2FOLH1CPA3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413948-B1 CENTRAL NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-07-02 US disclosed