SCHEMBL22111148

SCHEMBL22111148

NCC(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.49
PTGS1 P23219 1/20 0.49
GSTK1 Q9Y2Q3 1/20 0.49
FOLH1 Q04609 2/20 0.40
RIMKLA Q8IXN7 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
BMP1 P13497 2/20 0.38
CCKBR P32239 1/20 0.36
KEAP1 Q14145 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GNPAT O15228 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
SCHEMBL32670748 1.00 GLO1 (0.49) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL29050824 0.97 PTGS1 (0.51) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL2804509 0.97 PTGS1 (0.51) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL29350792 0.95 GLO1 (0.48) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL6863985 0.94 GLO1 (0.47) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL6863991 0.94 GLO1 (0.47) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL29742944 0.90 FOLH1 (0.47) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL31479995 0.90 FOLH1 (0.47) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL30974057 0.88 GLO1 (0.45) GLO1PTGS1GSTK1BMP1KEAP1
SCHEMBL30662555 0.88 GLO1 (0.45) GLO1PTGS1GSTK1BMP1KEAP1

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
EP-3666788-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 EP disclosed