SCHEMBL31488374

SCHEMBL31488374

O=C(O)c1cnn(Cc2ccc(OCC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ KLKB1 P03952 3/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ EGLN1 Q9GZT9 3/20 0.41
▸ ALKBH1 Q13686 5/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40

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
SCHEMBL31488658 0.85 GRM2 (0.46) PLA2G4AKLKB1
SCHEMBL369349 0.78 L3MBTL1 (0.58) PLA2G4AHSD17B10KLKB1L3MBTL1POLB
SCHEMBL4018058 0.78 HSD17B10 (0.57) HSD17B10KLKB1L3MBTL1POLBTDP1
SCHEMBL1912400 0.77 HSD17B10 (0.77) HSD17B10KLKB1L3MBTL1POLBTDP1
SCHEMBL27175136 0.77 HSD17B10 (0.43) PLA2G4AHSD17B10KLKB1FFAR4L3MBTL1
SCHEMBL31352729 0.77 HSD17B10 (0.56) PLA2G4AHSD17B10KLKB1FFAR4L3MBTL1
Hydrochloric Acid SCHEMBL31549317 0.77 L3MBTL1 (0.57) PLA2G4AHSD17B10KLKB1L3MBTL1POLB
SCHEMBL31352731 0.77 FFAR4 (0.53) PLA2G4AHSD17B10KLKB1FFAR4L3MBTL1
SCHEMBL31488343 0.77 KLKB1 (0.47) PLA2G4AKLKB1L3MBTL1
SCHEMBL949903 0.76 HSD17B10 (0.61) HSD17B10KLKB1L3MBTL1POLBTDP1

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-2025088176-A1 PROCESS FOR THE PREPARATION OF (3,3,3-TRIFLUORO-2-OXO-PROPOXY)PHENYL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-05-01 — — WO disclosed
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