SCHEMBL28590097

SCHEMBL28590097

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.45
▸ KLKB1 P03952 7/20 0.43
▸ PLA2G1B P04054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ MAOB P27338 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28595187 0.89 PDK1 (0.39) GRM2CYP1A2CYP3A4MAPTSMN1; SMN2
SCHEMBL24236702 0.88 KLKB1 (0.47) GRM2KLKB1SMN1; SMN2MAOBALDH1A1
SCHEMBL23815042 0.86 GRM2 (0.39) GRM2KLKB1MAPTSMN1; SMN2MAOB
SCHEMBL24236656 0.85 GRM2 (0.48) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL2819900 0.85 KLKB1 (0.56) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL31488658 0.84 GRM2 (0.46) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL28587532 0.83 GRM2 (0.45) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL24236700 0.82 GRM2 (0.47) GRM2KLKB1PLA2G1BCYP1A2CYP3A4
SCHEMBL24236666 0.82 TDP1 (0.39) GRM2KLKB1MAPTMAOBALDH1A1
SCHEMBL24208428 0.81 GRM2 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115460921-A Fungicidal halomethyl ketones and hydrates and mixtures thereof FMC公司 2022-12-09 — — CN claimed
CN-113015433-A Fungicidal halomethyl ketones and hydrates FMC公司 2021-06-22 — — CN claimed
EP-4117432-A2 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION (US) 2023-01-18 — — EP disclosed
CN-115460921-A Fungicidal halomethyl ketones and hydrates and mixtures thereof FMC公司 2022-12-09 — — CN disclosed
CN-113015433-A Fungicidal halomethyl ketones and hydrates FMC公司 2021-06-22 — — CN disclosed
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