SCHEMBL31060424

SCHEMBL31060424

CCCCCCCCCCCCCCC(=O)C(=O)NCCCCOCC

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.67
PLA2G4A P47712 1/20 0.62
EPHX1 P07099 5/20 0.46
CASP2 P42575 1/20 0.46
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
EPHX2 P34913 5/20 0.45

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
SCHEMBL19687365 0.84 CASP2 (0.62) CASP2EPHX2
SCHEMBL12636328 0.83 PLA2G2A (0.79) PLA2G2APLA2G4AEPHX1CASP2CES2
SCHEMBL17624918 0.82 CASP2 (0.59) CASP2EPHX2
SCHEMBL13991905 0.82 TSHR (0.47) PLA2G2AEPHX2
SCHEMBL4781039 0.78 PLA2G4A (0.67) PLA2G2APLA2G4ACES2CES1EPHX2
Monoethanolamine SCHEMBL6138913 0.78 PLA2G2A (0.71) PLA2G2APLA2G4AEPHX1CASP2CES2
Monoethanolamine SCHEMBL6139326 0.78 PLA2G2A (0.71) PLA2G2APLA2G4AEPHX1CASP2CES2
SCHEMBL15888712 0.77 SMN1; SMN2 (0.60) CASP2EPHX2
SCHEMBL17624903 0.77 CASP2 (0.56) CASP2EPHX2
SCHEMBL1877382 0.77 PLA2G4A (1.00) PLA2G2APLA2G4AEPHX2

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed