SCHEMBL2772124

SCHEMBL2772124

O=CC[C@H](OF)[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7851711 1.00 AKR1B1 (0.32) AKR1B1LMNAL3MBTL1
SCHEMBL8486 0.88 LMNA (0.39) AKR1B1LMNAL3MBTL1
SCHEMBL1389456 0.78 AKR1B1 (0.32) AKR1B1LMNAL3MBTL1
SCHEMBL8375908 0.78 AKR1B1 (0.32) AKR1B1LMNAL3MBTL1
SCHEMBL2773788 0.78 AKR1B1 (0.32) AKR1B1LMNAL3MBTL1
SCHEMBL10489942 0.75 AKR1B1 (0.30) AKR1B1
SCHEMBL12929867 0.75 MGAM (0.33) AKR1B1LMNA
SCHEMBL2189067 0.74 TDP1 (0.36)
SCHEMBL6429913 0.74 PTPN1 (0.38)
SCHEMBL139867 0.74 PTPN1 (0.38)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
EP-2167683-A2 METHOD TO PREDICT OR DIAGNOSE A GASTROINTESTINAL DISORDER OR DISEASE California Pacific Medical Center (US) 2010-03-31 EP disclosed
WO-2009015299-A1 METHOD TO PREDICT OR DIAGNOSE A GASTROINTESTINAL DISORDER OR DISEASE CALIFORNIA PACIFIC MEDICAL CENTER (US) 2009-01-29 WO disclosed
WO-2008150962-A2 METHOD TO PREDICT OR DIAGNOSE A GASTROINTESTINAL DISORDER OR DISEASE CALIFORNIA PACIFIC MEDICAL CENTER (US) 2008-12-11 WO disclosed