SCHEMBL2849953

SCHEMBL2849953

[CH2]C([CH2])(CN1C(=O)CC[C@H]1C(=O)O)CN1C(=O)CC[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
P2RX7 Q99572 12/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GYS1 P13807 1/20 0.32

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
SCHEMBL2576552 0.83 P2RX7 (0.46) ACEP2RX7KMT2AMEN1POLB
SCHEMBL2576550 0.83 P2RX7 (0.46) ACEP2RX7KMT2AMEN1POLB
SCHEMBL1914212 0.77 P2RX7 (0.51) ACEP2RX7KMT2A
SCHEMBL1651090 0.77 P2RX7 (0.51) ACEP2RX7KMT2A
SCHEMBL1587390 0.77 P2RX7 (0.51) ACEP2RX7KMT2A
SCHEMBL6694973 0.77 ACE (0.44) ACEP2RX7KMT2AMEN1POLB
SCHEMBL15018763 0.76 ACE (0.41) ACEP2RX7KMT2AMEN1POLB
SCHEMBL8859113 0.76 ACE (0.41) ACEP2RX7KMT2AMEN1POLB
SCHEMBL19975095 0.75 ACE (0.43) ACEP2RX7KMT2AMEN1POLB
SCHEMBL6705720 0.75 ACE (0.43) ACEP2RX7KMT2AMEN1POLB

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-8735332-B2 Use of pyroglutamic acid esters as gas hydrate inhibitors with improved biodegradability CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2014-05-27 US disclosed
US-20100213408-A1 Use of Pyroglutamic Acid Esters as Gas Hydrate Inhibitors With Improved Biodegradability CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2010-08-26 US disclosed