SCHEMBL4621858

SCHEMBL4621858

NC(=O)[C@H](CCC(=O)O)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
RIMKLA Q8IXN7 1/20 0.41
LMNA P02545 2/20 0.39
BLM P54132 1/20 0.39
HPGDS O60760 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 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
SCHEMBL2247729 0.93 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLALMNABLM
SCHEMBL2254202 0.91 ALDH1A1 (0.46) FOLH1NAALAD2RIMKLALMNABLM
SCHEMBL2244920 0.91 ALDH1A1 (0.46) FOLH1NAALAD2RIMKLALMNABLM
SCHEMBL10935612 0.85 FOLH1 (0.53) FOLH1NAALAD2RIMKLAEPHX2GGH
SCHEMBL10935609 0.85 FOLH1 (0.53) FOLH1NAALAD2RIMKLAEPHX2GGH
SCHEMBL2252360 0.78 HPGDS (0.41) NAALAD2HPGDSCYP1A2GRM7GGH
SCHEMBL4621861 0.78 KMT2A (0.44) FOLH1NAALAD2RIMKLALMNABLM
SCHEMBL5323996 0.78 KMT2A (0.44) FOLH1NAALAD2RIMKLALMNABLM
SCHEMBL29501687 0.76 EPHX2 (0.53) FOLH1NAALAD2RIMKLALMNAEPHX2
SCHEMBL2249643 0.75 TDP1 (0.41) FOLH1NAALAD2RIMKLALMNABLM

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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed