SCHEMBL30148833

SCHEMBL30148833

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
GSTK1 Q9Y2Q3 1/20 0.59
GLO1 Q04760 1/20 0.46
BMP1 P13497 2/20 0.45
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PLA2G2C Q5R387 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
SCHEMBL28927466 1.00 PTGS1 (0.59) PTGS1GSTK1GLO1BMP1FOLH1
SCHEMBL20787756 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL2928611 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL27760769 0.86 FOLH1 (0.58) PTGS1GSTK1BMP1FOLH1MAPT
SCHEMBL27760766 0.86 FOLH1 (0.58) PTGS1GSTK1BMP1FOLH1MAPT
SCHEMBL29774451 0.85 PTGS1 (0.52) PTGS1GSTK1GLO1BMP1FOLH1
SCHEMBL4739156 0.83 PTGS1 (0.50) PTGS1GSTK1GLO1BMP1FOLH1
SCHEMBL172853 0.82 GLO1 (0.49) PTGS1GSTK1GLO1BMP1FOLH1
SCHEMBL30895196 0.82 PTGS1 (0.63) PTGS1GSTK1GLO1BMP1FOLH1
SCHEMBL24829528 0.82 GSTK1 (0.65) PTGS1GSTK1GLO1FOLH1ALDH1A1

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-4136212-A1 METHOD FOR MEDIUM TREATMENT BEFORE INOCULATION Genentech, Inc. (US) 2023-02-22 EP claimed
EP-4136212-A1 METHOD FOR MEDIUM TREATMENT BEFORE INOCULATION Genentech, Inc. (US) 2023-02-22 EP disclosed