SCHEMBL31488658

SCHEMBL31488658

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.46
▸ KLKB1 P03952 10/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ PLA2G4A P47712 1/20 0.42
▸ MAOB P27338 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL31488311 0.90 KLKB1 (0.46) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL2819900 0.85 KLKB1 (0.56) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL31488374 0.85 PLA2G4A (0.51) KLKB1PLA2G4A
SCHEMBL28587532 0.84 GRM2 (0.45) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL28590097 0.84 GRM2 (0.45) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL24236700 0.83 GRM2 (0.47) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL31488192 0.83 MAPT (0.47) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL24236660 0.82 GRM2 (0.45) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL24208428 0.82 GRM2 (0.50) GRM2KLKB1MAPTSMN1; SMN2MAOB
SCHEMBL369369 0.82 L3MBTL1 (0.54) GRM2KLKB1MAPTSMN1; SMN2MAOB

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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