SCHEMBL31488343

SCHEMBL31488343

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 10/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GRM2 Q14416 1/20 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
▸ PLA2G4A P47712 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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 0.89 KLKB1 (0.46) KLKB1L3MBTL1GRM2PLA2G1BCYP1A2
SCHEMBL31488288 0.83 NPC1 (0.62) KLKB1L3MBTL1MAPTSMN1; SMN2PLA2G4A
SCHEMBL17895755 0.83 L3MBTL1 (0.60) KLKB1L3MBTL1GRM2MAPTSMN1; SMN2
SCHEMBL31488658 0.79 GRM2 (0.46) KLKB1GRM2PLA2G1BCYP1A2CYP3A4
SCHEMBL31352749 0.79 KLKB1 (0.48) KLKB1L3MBTL1GRM2MAPTMEN1
SCHEMBL29117303 0.78 GRM2 (0.61) KLKB1GRM2MAPTSMN1; SMN2TP53
SCHEMBL3765456 0.78 KLKB1 (0.53) KLKB1L3MBTL1KDM4EALDH1A1
SCHEMBL30736811 0.77 KDM4E (0.51) KLKB1L3MBTL1GRM2SMN1; SMN2MEN1
SCHEMBL31488374 0.77 PLA2G4A (0.51) KLKB1L3MBTL1PLA2G4A
SCHEMBL4785951 0.75 HSD17B10 (0.59) KLKB1L3MBTL1GRM2SMN1; SMN2MEN1

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 claimed
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