SCHEMBL23120296

SCHEMBL23120296

O=C(O)CCCNC(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.41
FOLH1 Q04609 4/20 0.41
RIMKLA Q8IXN7 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
LMNA P02545 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
PRMT1 Q99873 1/20 0.38

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
SCHEMBL23120307 1.00 GNPAT (0.41) GNPATFOLH1RIMKLANAALAD2LMNA
SCHEMBL23120312 0.92 PRMT1 (0.48) GNPATLMNASLC22A6TSHRNFKB1
SCHEMBL2907971 0.89 CA2 (0.42) GNPATFOLH1RIMKLANAALAD2SLC22A6
SCHEMBL2129750 0.89 CA2 (0.42) GNPATFOLH1RIMKLANAALAD2SLC22A6
SCHEMBL6544634 0.89 CA2 (0.42) GNPATSLC22A6CA2CA4TSHR
SCHEMBL6545327 0.87 CA2 (0.41) GNPATCA2CA4TSHRPRMT1
SCHEMBL2129341 0.87 FOLH1 (0.43) GNPATFOLH1RIMKLANAALAD2CA2
SCHEMBL6544613 0.87 CA2 (0.41) GNPATCA2CA4TSHRPRMT1
SCHEMBL4862378 0.87 FOLH1 (0.43) GNPATFOLH1RIMKLANAALAD2CA2
SCHEMBL1311432 0.87 FOLH1 (0.43) GNPATFOLH1RIMKLANAALAD2CA2

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
WO-2021052768-A1 PHOSPHONIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION Zschimmer & Schwarz Mohsdorf GmbH & Co. KG (DE) 2021-03-25 WO disclosed